SCHEMBL1688876

SCHEMBL1688876

O=Cc1cccc2cccc(C(=O)O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CDC25B P30305 1/20 0.42
KEAP1 Q14145 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL29563927 1.00 HSD17B10 (0.60) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29953603 0.93 HSD17B10 (0.56) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7598992 0.86 HSD17B10 (0.46) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL1506769 0.83 HSD17B10 (0.58) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3293879 0.83 ALDH1A1 (0.44) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3299164 0.82 KMT2A (0.45) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL6629135 0.82 AKR1C3 (0.47) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL29404347 0.81 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7624693 0.81 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3ALDH1A1
Benzene SCHEMBL28110156 0.81 HSD17B10 (0.78) HSD17B10NR4A1NR4A2NR4A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737442-B1 AGONISTS OF A BITTER TASTE RECEPTOR AND USES THEREOF DEUTSCHES INST FÜR ERNÄHRUNGSFORSCHUNG STIFTUNG DES ÖFFENTLICHEN RECHTS VERTRETEN DURCH DEN STIFTUNG (DE) 2015-01-07 EP claimed
US-20130237734-A1 Aromatization Catalyst and Methods of Preparing Same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-09-12 US claimed
US-8158372-B2 Agonists of a bitter taste receptor and uses thereof DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE (DE) 2012-04-17 US claimed
JP-4812752-B2 2011-11-09 JP claimed
US-20100056621-A1 AGONISTS OF A BITTER TASTE RECEPTOR AND USES THEREOF DEUTSCHES INSTITUT FUR ERNAHRUNGSFORSCHUNG (DE) 2010-03-04 US claimed
EP-1737442-A1 AGONISTS OF A BITTER TASTE RECEPTOR AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG - STIFTUNG DES ÖFFENTLICHEN RECHTS - VERTRETEN DURCH DEN STIFTUNGSVORSTAND (DE) 2007-01-03 EP claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
WO-2005102311-A1 AGONISTS OF A BITTER TASTE RECEPTOR AND USES THEREOF Deutsches Institut für Ernährungsforschung (DE) 2005-11-03 WO claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-3933849-A INDICATOR DYES AS OPTICAL FILTER AGENTS POLAROID CORPORATION (US) 1976-01-20 US claimed
US-3931228-A Process for preparing phthalide and naphthalide indicator dyes POLAROID CORPORATION (US) 1976-01-06 US claimed
CN-113889621-B Binder, negative electrode and lithium ion battery 比亚迪股份有限公司 2023-07-14 CN disclosed
US-11554280-B2 Long-term fire retardant with corrosion inhibitors and methods for making and using same FRS GROUP, LLC (US) 2023-01-17 US disclosed
US-20220080242-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-03-17 US disclosed
CN-113889621-A Binder, negative electrode and lithium ion battery 比亚迪股份有限公司 2022-01-04 CN disclosed
US-3931228-A Process for preparing phthalide and naphthalide indicator dyes POLAROID CORPORATION (US) 1976-01-06 US disclosed
US-3931228-A Process for preparing phthalide and naphthalide indicator dyes POLAROID CORPORATION (US) 1976-01-06 US disclosed
US-3816453-A PROCESS FOR PREPARING NAPHTHALIDE INDICATOR DYES POLAROID CORP 1974-06-11 US disclosed
US-3728384-A METHOD OF PRODUCING 1,8-NAPHTHALDEHYDE MONOCARBOXYLIC NII SINT SPIRTOV 1973-04-17 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-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 HSD17B10 2365/4885NR4A1 1369/4885NR4A2 2413/4885
US-20100056621-A1 AGONISTS OF A BITTER TASTE RECEPTOR AND USES THEREOF TAS2R4, TAS2R30, TAS2R40 HSD17B10 2787/4885NR4A1 1140/4885NR4A2 548/4885

“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.