SCHEMBL2397472

SCHEMBL2397472

C1CCCCC(NC2CCCCCCCC2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
HSD17B10 Q99714 1/20 1.00
ADH1B P00325 3/20 0.53
ADH1C P00326 3/20 0.53
ADH1A P07327 3/20 0.53
ADH4 P08319 1/20 0.53
ADH7 P40394 2/20 0.47
EPHX1 P07099 5/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA1 P00915 2/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 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
SCHEMBL1000021 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657085 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL21375316 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771539 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657086 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24839013 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771540 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL25122871 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL20733078 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL500 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023192586-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
EP-3689891-B1 COBALT COMPLEX, PRODUCTION METHOD THEREFOR, AND CATALYST FOR HYDROSILYLATION REACTION UNIV KYUSHU NAT UNIV CORP (JP) 2023-03-01 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2021119159-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-17 WO disclosed
US-20200247957-A1 COBALT COMPLEX, PRODUCTION METHOD THEREFOR, AND CATALYST FOR HYDROSILYLATION REACTION KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-08-06 US disclosed
EP-3689891-A1 COBALT COMPLEX, PRODUCTION METHOD THEREFOR, AND CATALYST FOR HYDROSILYLATION REACTION Kyushu University, National University Corporation (JP) 2020-08-05 EP disclosed
EP-3118205-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP disclosed
EP-3269724-B1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP disclosed
US-10363551-B2 Mononuclear iron complex and organic synthesis reaction using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2019-07-30 US disclosed
US-20160207879-A1 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS AND DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES INC (US) 2016-07-21 US disclosed
US-20160023197-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160023196-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2963047-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME Kyushu University, National University Corporation (JP) 2016-01-06 EP disclosed
EP-2963046-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME Kyushu University, National University Corporation (JP) 2016-01-06 EP disclosed
WO-2015050656-A2 METHODS AND INDUSTRIAL PROCESSES FOR THE GENERATION OF FREE FATTY ACIDS DERIVATIVES THEREOF FROM OIL GUMS INVENTURE RENEWABLES, INC. (US) 2015-04-09 WO disclosed
US-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
EP-2368875-B1 PHOTOBASE GENERATOR WAKO PURE CHEM IND LTD (JP) 2014-09-03 EP disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 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 (5 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-20160023196-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME HNRNPL, ACSL3, RBCK1 ALDH1A1 1932/4885HSD17B10 2342/4885ADH1B 1298/4885
US-20160023197-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME MRPL21, HNRNPL, RRS1 ALDH1A1 2778/4885HSD17B10 3618/4885ADH1B 1865/4885
US-20200247957-A1 COBALT COMPLEX, PRODUCTION METHOD THEREFOR, AND CATALYST FOR HYDROSILYLATION REACTION OR51E2, WEE2, SLC39A11 ALDH1A1 1421/4885HSD17B10 739/4885ADH1B 106/4885
US-10363551-B2 Mononuclear iron complex and organic synthesis reaction using same TFRC, IDO1, H1-0 ALDH1A1 2768/4885HSD17B10 3383/4885ADH1B 1798/4885
US-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 ALDH1A1 503/4885HSD17B10 513/4885ADH1B 114/4885

“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.