SCHEMBL2730201

SCHEMBL2730201

O=C(O)/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MAPT P10636 7/20 0.70
RAB9A P51151 7/20 0.70
NPC1 O15118 5/20 0.70
CYP1A2 P05177 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NPSR1 Q6W5P4 1/20 0.64
CXCL12 P48061 1/20 0.62
STAT3 P40763 1/20 0.60
KMT2A Q03164 3/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
HCAR2 Q8TDS4 1/20 0.56
MAOB P27338 3/20 0.56
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.55
MAOA P21397 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL2730205 1.00 KDM4E (1.00) KDM4EMAPTRAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL28538962 0.98 KDM4E (0.97) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL29128002 0.93 KDM4E (0.88) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL30666651 0.93 KDM4E (0.88) KDM4EMAPTRAB9ANPC1CYP1A2
Morpholine SCHEMBL5634996 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL4745288 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL79427 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL29644896 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL4745286 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL29690600 0.90 KDM4E (0.81) KDM4EMAPTRAB9ANPC1CYP1A2

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 34 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
US-20240100031-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING VIRAL INFECTIONS CONTAINING PIPERLONGUMINE-BASED COMPOUND AS ACTIVE INGREDIENT HUSCION CO., LTD. (KR) 2024-03-28 US disclosed
CN-117229205-A Preparation method and pharmaceutical application of phenyl acrylamide RHbDD1 inhibitor 中国医学科学院基础医学研究所 2023-12-15 CN 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
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 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-20220213080-A1 PIPERLONGUMINE-BASED COMPOUND AND IMMUNO REGULATOR COMPRISING THE SAME HUSCION CO., LTD. (KR) 2022-07-07 US disclosed
EP-4023301-A2 PIPERLONGUMINE-BASED COMPOUND AND IMMUNO REGULATOR COMPRISING THE SAME Huscion Co., Ltd. (KR) 2022-07-06 EP disclosed
CN-114685361-A Piperlongumine compounds and immunomodulators containing the same 人类科学有限公司 2022-07-01 CN disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
EP-0590919-B1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO KK (JP) 1999-12-29 EP disclosed
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0590919-A1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-06 EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP 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 (3 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 KDM4E 4179/4885MAPT 2988/4885RAB9A 2820/4885
US-20240100031-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING VIRAL INFECTIONS CONTAINING PIPERLONGUMINE-BASED COMPOUND AS ACTIVE INGREDIENT SARS1, ACE2, CUL2 KDM4E 1825/4885MAPT 1922/4885RAB9A 1732/4885
US-20220213080-A1 PIPERLONGUMINE-BASED COMPOUND AND IMMUNO REGULATOR COMPRISING THE SAME NFATC1, IRF2BP2, IKBKG KDM4E 720/4885MAPT 3071/4885RAB9A 1158/4885

“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.