SCHEMBL872871

SCHEMBL872871

COC(C)(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
TRPA1 O75762 1/20 0.44
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.40
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
FDPS P14324 1/20 0.38
CALM1 P0DP23 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
Ammonia Solution, Strong SCHEMBL27418091 0.96 SLC6A2 (0.50) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL1157985 0.83 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL3385591 0.83 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL22029800 0.82 SLC6A2 (0.50) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL10462120 0.81 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL25407758 0.79 TAAR1 (0.58) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL7929657 0.79 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL7492795 0.79 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL8025855 0.79 LMNA (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL313697 0.79 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN claimed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO claimed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US claimed
EP-4720072-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-04-08 EP disclosed
US-20260078133-A1 RAS INHIBITORS Revolution Medicines, Inc. 2026-03-19 US disclosed
US-20260028353-A1 MACROCYCLIC RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2026-01-29 US disclosed
WO-2024249299-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-12-05 WO disclosed
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
US-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIV OF TEXAS SY (US) 2023-05-04 US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
EP-2366014-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-21 EP disclosed
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
WO-2009027957-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2009-03-05 WO disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 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 (6 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SLC6A2 4791/4885TAAR1 4837/4885LMNA 4074/4885
US-20230140290-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING EIF2AK2, SARS1, ACE SLC6A2 1880/4885TAAR1 4640/4885LMNA 2267/4885
US-20260078133-A1 RAS INHIBITORS KRAS, NRAS, HRAS SLC6A2 4643/4885TAAR1 3775/4885LMNA 2548/4885
US-20260028353-A1 MACROCYCLIC RAS INHIBITORS KRAS, NRAS, HRAS SLC6A2 4716/4885TAAR1 4385/4885LMNA 2273/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SLC6A2 4791/4885TAAR1 4837/4885LMNA 4074/4885
US-20100266952-A1 CYCLIC COMPOUND, PHOTORESIST BASE, PHOTORESIST COMPOSITION, MICROFABRICATION PROCESS, AND SEMICONDUCTOR DEVICE C1S, CCNL2, CCNT1 SLC6A2 3579/4885TAAR1 2033/4885LMNA 977/4885

“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.