SCHEMBL7155267

SCHEMBL7155267

COC(=O)CCCc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MAPT P10636 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL22921868 0.91 TSHR (0.58) MAPTTSHREPHX2CYP4F2CYP4A11
Cyclopropane SCHEMBL11851783 0.90 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL197699 0.89 CYP11B1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9236090 0.88 NPC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9233984 0.87 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8895651 0.86 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7718832 0.86 TSHR (0.48) TSHREPHX2CYP4F2CYP4A11ALDH1A1
SCHEMBL11296823 0.85 SLC2A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23700758 0.85 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9236137 0.85 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN claimed
JP-2002514161-A 2002-05-14 JP claimed
EP-0927033-A4 1999-07-07 EP claimed
EP-0927033-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1999-07-07 EP claimed
WO-1998000127-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1998-01-08 WO claimed
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2026-01-08 US disclosed
US-12338214-B2 Bexarotene derivatives and their use in treating cancer DJ Therapeutics LLC (US) 2025-06-24 US disclosed
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN disclosed
CN-114487184-A Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof 江苏省原子医学研究所 2022-05-13 CN disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
CN-112218629-A Bexarotene derivatives and their use in the treatment of cancer DJ疗法有限责任公司 2021-01-12 CN disclosed
EP-3758694-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2021-01-06 EP disclosed
CN-103384661-B Mineralocorticoid receptor antagonists 默沙东公司 2016-08-10 CN disclosed
US-20030203934-A1 Cocaine receptor binding ligands RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 US disclosed
EP-0927033-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1999-07-07 EP disclosed
EP-0927033-A4 1999-07-07 EP disclosed
WO-1998000127-A1 RETINOYLOXY(SUBSTITUTED)ALKYLENE BUTYRATES USEFUL FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES BAR-ILAN UNIVERSITY (IL) 1998-01-08 WO 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-12338214-B2 Bexarotene derivatives and their use in treating cancer C3AR1, CXCR3, CCR7 HDAC3 2064/4885HDAC4 3485/4885HDAC1 2549/4885
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER ENPP2, XPA, CCR8 HDAC3 3331/4885HDAC4 2601/4885HDAC1 3834/4885
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER CXCR3, CCR6, CCR9 HDAC3 1961/4885HDAC4 2497/4885HDAC1 2937/4885
US-20030203934-A1 Cocaine receptor binding ligands SLC18A2, SLC6A3, SLC18A3 HDAC3 3222/4885HDAC4 3590/4885HDAC1 1911/4885

“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.