SCHEMBL5897658

SCHEMBL5897658

O=C(N[C@@H]1CCC[C@H]1O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
CPB1 P15086 2/20 0.55
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.54
CASP3 P42574 3/20 0.54
CTSB P07858 3/20 0.52
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 2/20 0.49

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
SCHEMBL5896895 1.00 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5896898 1.00 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5897664 1.00 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL2848375 1.00 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL31064941 1.00 ALDH1A1 (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL18544232 0.97 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5749471 0.97 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL13917140 0.97 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL13326281 0.97 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5751554 0.97 EPHX1 (0.58) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
US-20250009745-A1 CDK INHIBITOR SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2025-01-09 US disclosed
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-11667631-B2 FGFR4 inhibitor, preparation method therefor, and applications thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
WO-2022166793-A1 CDK INHIBITOR 上海齐鲁制药研究中心有限公司 2022-08-11 WO disclosed
CN-114650991-A Bridged ring-fused aldehyde pyridine derivative and application thereof 北京伯汇生物技术有限公司 2022-06-21 CN disclosed
CN-112759593-A Bridged ring-fused aldehyde pyridine derivative and application thereof 北京伯汇生物技术有限公司 2021-05-07 CN disclosed
EP-2685981-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
WO-2012125886-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 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-20250009745-A1 CDK INHIBITOR CDK9, CDKL1, CDK6 ALDH1A1 3117/4885GAA 1941/4885CPB1 3276/4885
US-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 ALDH1A1 29/4885GAA 1665/4885CPB1 3620/4885
US-11667631-B2 FGFR4 inhibitor, preparation method therefor, and applications thereof FGFR4, FGFR1, FGFR2 ALDH1A1 855/4885GAA 2973/4885CPB1 3117/4885
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R ALDH1A1 2275/4885GAA 4242/4885CPB1 2932/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 ALDH1A1 22/4885GAA 3298/4885CPB1 2223/4885

“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.