SCHEMBL435512

SCHEMBL435512

O=C(O)C1(c2ccccc2)CCCN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
HDAC4 P56524 2/20 0.40
HSD11B1 P28845 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
HTR2A P28223 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL994596 1.00 AKR1C1 (0.48) AKR1C1HDAC4HSD11B1LMNAHTT
SCHEMBL10659448 1.00 AKR1C1 (0.48) AKR1C1HDAC4HSD11B1LMNAHTT
Hydrochloric Acid SCHEMBL8114401 0.98 AKR1C1 (0.47) AKR1C1HDAC4HSD11B1LMNAHTT
Hydrochloric Acid SCHEMBL8114403 0.98 AKR1C1 (0.47) AKR1C1HDAC4HSD11B1LMNAHTT
SCHEMBL16057460 0.95 AKR1C1 (0.52) AKR1C1HDAC4HSD11B1LMNAHTT
SCHEMBL11241224 0.90 AKR1C1 (0.40) AKR1C1ALDH1A1
Hydrochloric Acid SCHEMBL11247968 0.89 AKR1C1 (0.39) AKR1C1
SCHEMBL11241214 0.86 MMP2 (0.40) AKR1C1
SCHEMBL11231091 0.86 PLA2G10 (0.39) AKR1C1HSD11B1LMNA
SCHEMBL11234892 0.86 ALDH1A1 (0.39) AKR1C1HDAC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037645-B2 Methods of detecting cancer IMMUNIS.AI, INC. (US) 2024-07-16 US disclosed
EP-4381091-A2 COMPOSITIONS AND METHODS FOR DETECTING PROSTATE CANCER Immunis.AI, Inc. (US) 2024-06-12 EP disclosed
EP-4075139-B1 METHODS OF DETECTING PROSTATE CANCER IMMUNIS AI INC (US) 2024-05-22 EP disclosed
US-20240158863-A1 METHODS OF DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-05-16 US disclosed
US-20240018501-A1 HIGHER PERFORMANCE PROTEASES FOR SCARLESS PEPTIDE TAG REMOVAL UNIV ILLINOIS (US) 2024-01-18 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
EP-4303584-A2 METHODS FOR DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS President and Fellows of Harvard College (US) 2024-01-10 EP disclosed
US-20230280346-A1 METHODS OF DETECTING PROSTATE CANCER IMMUNIS.AI, INC. 2023-09-07 US disclosed
EP-4202441-A2 GENE EXPRESSION PROFILE IN MACROPHAGES FOR THE DIAGNOSIS OF CANCER Immunis.AI, Inc. (US) 2023-06-28 EP disclosed
WO-2011012810-A1 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OROXCELL (FR) 2011-02-03 WO disclosed
EP-2240781-A1 METHODS OF DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS President and Fellows of Harvard College (US) 2010-10-20 EP disclosed
WO-2010117525-A1 METHOD OF MAKING RIBOSOMES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-14 WO disclosed
CN-101842098-A Nitrogen-containing bicyclic chemical entities for the treatment of viral infections GENELABS TECH INC 2010-09-22 CN disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
WO-2009092068-A1 METHODS OF DETECTING SIGNATURES OF DISEASE OR CONDITIONS IN BODILY FLUIDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-07-23 WO disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 WO disclosed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 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 (4 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS AKR1C1 4316/4885HDAC4 3512/4885HSD11B1 2229/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 AKR1C1 2817/4885HDAC4 4381/4885HSD11B1 3882/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 AKR1C1 2391/4885HDAC4 1478/4885HSD11B1 2958/4885
US-20240018501-A1 HIGHER PERFORMANCE PROTEASES FOR SCARLESS PEPTIDE TAG REMOVAL LNPEP, RNPEP, ANPEP AKR1C1 4552/4885HDAC4 4446/4885HSD11B1 2891/4885

“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.