SCHEMBL15075251

SCHEMBL15075251

Cc1cccc(OC(C)(C)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ AR P10275 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7604507 0.86 ACHE (0.46) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL27506576 0.84 ACHE (0.47) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL12853903 0.83 ACHE (0.50) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL29690110 0.81 ACHE (0.48) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL13165241 0.80 SOD1 (0.43) ACHELMNAPOLBL3MBTL1
SCHEMBL15488959 0.80 ACHE (0.52) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL2229241 0.80 ALDH1A1 (0.50) ALDH1A1GAAKMT2APOLBMAPT
SCHEMBL12557179 0.80 ACHE (0.52) ACHELMNAALDH1A1GAAKMT2A
SCHEMBL19384231 0.80 MAOB (0.43) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL26277295 0.80 ABL1 (0.36) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 — — EP disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 — — US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 — — US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 — — US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 — — US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 — — 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 (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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ACHE 210/4885LMNA 2409/4885ALDH1A1 684/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ACHE 210/4885LMNA 2409/4885ALDH1A1 684/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ACHE 210/4885LMNA 2409/4885ALDH1A1 684/4885

“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.

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