SCHEMBL3899593

SCHEMBL3899593

Cc1ccc(C(=O)CO)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL13622409 0.84 LMNA (0.56) HTTSMN1; SMN2CES2CES1KMT2A
SCHEMBL10622910 0.83 CYP1A2 (0.44) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL1259916 0.83 ESRRG (0.46) HTTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7701905 0.83 ALDH1A1 (0.53) HTTSMN1; SMN2CES2CES1KMT2A
SCHEMBL14648650 0.82 TDP1 (0.48) HTTKMT2AMEN1LMNAMAPT
SCHEMBL2071460 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL21006684 0.82 HDAC1 (0.58) HTTCES2CES1KMT2ALMNA
SCHEMBL27778655 0.82 CYP1A2 (0.52) MAPTGAAL3MBTL1ALDH1A1NPC1
SCHEMBL30187429 0.81 GSK3B (0.61) HTTSMN1; SMN2CES2CES1KMT2A
SCHEMBL3269069 0.81 HTT (0.50) HTTSMN1; SMN2CES2CES1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669747-A Preparing method of alpha-hydroxy phosphate 苏州大学张家港工业技术研究院 2016-06-15 CN claimed
CN-108558813-B Resveratrol derivative containing flavonoid as well as preparation method and application thereof 合肥工业大学 2021-07-23 CN disclosed
CN-105669747-A Preparing method of alpha-hydroxy phosphate 苏州大学张家港工业技术研究院 2016-06-15 CN disclosed
CN-102796086-A Antagonists of the vanilloid receptor subtype 1 (vr1) and uses thereof ABBOTT LAB 2012-11-28 CN disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
CN-101426498-A Antagonists of vanilloid receptor subtype 1 (VR 1) and uses thereof ABBOTT LAB (US) 2009-05-06 CN disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP disclosed
EP-1133467-B1 ION CHANNEL MODULATING AGENTS NEUROSEARCH AS (DK) 2004-09-15 EP disclosed
EP-1133467-A1 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000034228-A1 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 US disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 EP disclosed
US-4122256-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4052433-A INTERMEDIATES FOR BENZOFURANS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-3994879-A CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-30 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 (2 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 HTT 4107/4885SMN1; SMN2 3891/4885CES2 4312/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 HTT 3446/4885SMN1; SMN2 3772/4885CES2 4362/4885

“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.