SCHEMBL216840

SCHEMBL216840

[NH]C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
HSD11B1 P28845 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
XBP1 P17861 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL251840 0.77 HSD11B1 (0.50) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL12714 0.74 HSD11B1 (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL19557166 0.74 HSD11B1 (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
Ammonia Solution, Strong SCHEMBL11787415 0.74 HSD11B1 (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL19557168 0.74 HSD11B1 (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL546352 0.74 HTT (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL133056 0.74 HSD11B1 (0.48) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL10849186 0.74 ALDH1A1 (0.39) EPHX1EPHX2HSD11B1L3MBTL1HTT
SCHEMBL5489940 0.72 HSD11B1 (0.46) EPHX1EPHX2HSD11B1L3MBTL1HTT
Hydrochloric Acid SCHEMBL1061147 0.72 L3MBTL1 (0.50) EPHX1EPHX2HSD11B1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452521-A1 TETRAHYDROINDACENYL CATALYST COMPOSITION, CATALYST SYSTEM, AND PROCESSES FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2019-03-13 EP claimed
WO-2017192226-A1 TETRAHYDROINDACENYL CATALYST COMPOSITION, CATALYST SYSTEM, AND PROCESSES FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-09 WO claimed
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP claimed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO claimed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO claimed
JP-4242067-B2 2009-03-18 JP claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0837887-B1 POLYMERIZATION OF CRYSTALLINE COPOLYMERS OF OLEFINS AND CYCLIC OLEFINS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-28 EP claimed
US-6319998-B1 MAKING BLENDS OF ETHYLENE-PROPYLENE-OPTIONAL DIENE COPOLYMERS IN WHICH THE BLEND COMPONENTS DIFFER IN COMPOSITION, MOLECULAR WEIGHT, OR CRYSTALLINITY USING A METALLOCENE CATALYST. EXXON MOBIL CHEMICAL PATENTS INC. 2001-11-20 US claimed
EP-1060202-A1 METHOD FOR MAKING POLYMER BLENDS BY USING SERIES REACTORS EXXON CHEMICAL PATENTS INC. (US) 2000-12-20 EP claimed
EP-1060199-A1 METHOD FOR INCREASING DIENE CONVERSION IN EPDM TYPE POLYMERIZATIONS Exxon Chemical Patents, Inc. (US) 2000-12-20 EP claimed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP claimed
WO-1999045047-A1 METHOD FOR INCREASING DIENE CONVERSION IN EPDM TYPE POLYMERIZATIONS EXXON CHEMICAL PATENTS INC. (US) 1999-09-10 WO claimed
WO-1999045049-A1 METHOD FOR MAKING POLYMER BLENDS BY USING SERIES REACTORS EXXON CHEMICAL PATENTS INC. (US) 1999-09-10 WO claimed
US-5208228-A Skin disorders MERCK & CO., INC. (US) 1993-05-04 US claimed
EP-0428365-A1 Aminomacrolides and derivatives having immunosuppressive activity MERCK & CO. INC. (US) 1991-05-22 EP claimed
US-4014892-A ANTHELMINTICS AMERICAN CYANAMID COMPANY (US) 1977-03-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 EPHX1 1869/4885EPHX2 2941/4885HSD11B1 3068/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 EPHX1 1803/4885EPHX2 2978/4885HSD11B1 3118/4885

“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.