SCHEMBL14790147

SCHEMBL14790147

CC(C)(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.61
LIPG Q9Y5X9 12/20 0.61
F11 P03951 2/20 0.53
ESR2 Q92731 1/20 0.49
ESR1 P03372 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL24336324 0.89 LIPG (0.57) LPLLIPGF11ESR2F2
SCHEMBL2319123 0.86 LIPG (0.57) LPLLIPGF11ESR2F2
SCHEMBL30289570 0.86 LPL (0.57) LPLLIPGF11ESR2F2
SCHEMBL28366112 0.84 LIPG (0.59) LPLLIPGF11ESR2F2
SCHEMBL2415330 0.84 LPL (0.59) LPLLIPGF11ESR2F2
SCHEMBL26983231 0.83 LPL (0.54) LPLLIPGF11ESR2F2
Ammonia Solution, Strong SCHEMBL28457989 0.82 LPL (0.57) LPLLIPGF11ESR2F2
SCHEMBL23582308 0.80 F11 (0.53) LPLLIPGF11ESR2F2
SCHEMBL15432466 0.80 LPL (0.69) LPLLIPGF11ESR2F2
SCHEMBL10006068 0.80 LIPG (0.81) LPLLIPGF11ESR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137264-A1 POLYPHENOLIC BORONATES AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2024-06-27 WO disclosed
US-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof GENENTECH, INC. (US) 2023-02-14 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-114835757-A Organic electroluminescent material and device 环球展览公司 2022-08-02 CN disclosed
CN-114846013-A Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-02 CN disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed
CN-114621294-A Organic electroluminescent material and device 环球展览公司 2022-06-14 CN disclosed
WO-2021133035-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF 주식회사 엘지화학 2021-07-01 WO disclosed
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 WO disclosed
US-20190175749-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2019-06-13 US disclosed
WO-2018031662-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2018-02-15 WO disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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 (4 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 LPL 111/4885LIPG 97/4885F11 1956/4885
US-20190175749-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF NQO1, GSTP1, CYBB LPL 4635/4885LIPG 4342/4885F11 3845/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 LPL 3536/4885LIPG 3085/4885F11 3677/4885
US-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof NQO1, GSTP1, CYBB LPL 4635/4885LIPG 4342/4885F11 3845/4885

“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.