SCHEMBL2737129

SCHEMBL2737129

C=C/C=C\C(=C/C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL18673137 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18657388 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22292169 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18636925 0.81
SCHEMBL259454 0.80 LMNA (0.30)
SCHEMBL7806928 0.80 LMNA (0.30)
SCHEMBL14816929 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16186296 0.78
SCHEMBL28773027 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15177581 0.78 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230235300-A1 Transaminase Mutant And Use Thereof ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-27 US disclosed
US-20230215723-A1 METHODS OF MANUFACTURING INTEGRATED CIRCUIT DEVICES USING CARBONYL COMPOUNDS ADEKA CORPORATION (JP) 2023-07-06 US disclosed
US-20210107853-A1 SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE SIEGFRIED AG (CH) 2021-04-15 US disclosed
EP-3505558-B1 PROCESS FOR PREPARING A POLY(AMIDE-IMIDE) FILM AND A POLY(AMIDE-IMIDE) FILM PREPARED BY THE SAME SKC CO LTD (KR) 2020-07-15 EP disclosed
US-9956191-B2 Composition of 5-nitrobenzoate derivatives as anti-metastatic agent that inhibits tumor cell-induced platelet aggregation UNIV CHANG GUNG (TW) 2018-05-01 US disclosed
WO-2017192595-A1 RECONFIGURABLE MULTI-STEP CHEMICAL SYNTHESIS SYSTEM AND RELATED COMPONENTS AND METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-11-09 WO disclosed
US-20170172949-A1 COMPOSITION OF 5-NITROBENZOATE DERIVATIVES AS ANTI-METASTATIC AGENT THAT INHIBITS TUMOR CELL-INDUCED PLATELET AGGREGATION CHANG GUNG UNIVERSITY (TW) 2017-06-22 US disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
EP-1833815-B1 A PROCESS FOR PREPARATION OF IMATINIB BASE INST FARMACEUTYCZNY (PL) 2010-09-15 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 (3 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-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 ALDH1A1 3417/4885
US-20170172949-A1 COMPOSITION OF 5-NITROBENZOATE DERIVATIVES AS ANTI-METASTATIC AGENT THAT INHIBITS TUMOR CELL-INDUCED PLATELET AGGREGATION PTAFR, PF4, F11 ALDH1A1 881/4885
US-20210107853-A1 SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE ACACA, CYP51A1, ACACB ALDH1A1 178/4885

“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.