SCHEMBL565587

SCHEMBL565587

O=Cc1ccc2c(c1)OCCCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
HSD17B10 Q99714 1/20 0.71
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3516862 0.96 ALDH1A1 (0.71) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL16784218 0.94 ALDH1A1 (0.65) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL16472567 0.94 ALDH1A1 (0.69) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL15853573 0.94 ALDH1A1 (0.69) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL16784223 0.93 ALDH1A1 (0.62) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL30576999 0.92 ALDH1A1 (0.77) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL210494 0.92 ALDH1A1 (0.77) ALDH1A1TDP1HSD17B10KDM4ERAB9A
Ammonia Solution, Strong SCHEMBL28566017 0.90 ALDH1A1 (0.74) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL16559899 0.89 ALDH1A1 (0.62) ALDH1A1TDP1HSD17B10KDM4ERAB9A
SCHEMBL16784219 0.89 ALDH1A1 (0.62) ALDH1A1TDP1HSD17B10KDM4ERAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof MEMORY PHARMACEUTICALS CORP. 2004-11-18 US disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 WO disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
US-4177272-A HYPOTENSIVE, VASODILATION, PARKINSON'S DISEASE SCIENCE UNION ET CIE (FR) 1979-12-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229868-A1 Heterocyclic compounds, methods for the preparation thereof, and uses thereof CHRNA1, CHRNA4, CHRNA3 ALDH1A1 370/4885TDP1 2860/4885HSD17B10 1598/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 ALDH1A1 2424/4885TDP1 688/4885HSD17B10 4154/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 ALDH1A1 1439/4885TDP1 1796/4885HSD17B10 867/4885
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 ALDH1A1 1225/4885TDP1 3019/4885HSD17B10 1912/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 ALDH1A1 3670/4885TDP1 1447/4885HSD17B10 2409/4885
US-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 ALDH1A1 2434/4885TDP1 4486/4885HSD17B10 774/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ALDH1A1 1723/4885TDP1 2688/4885HSD17B10 3259/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ALDH1A1 3670/4885TDP1 1447/4885HSD17B10 2409/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.