SCHEMBL78891

SCHEMBL78891

CC(C)(C)c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
TSHR P16473 4/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PNMT P11086 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
CYP2A6 P11509 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL2199206 0.87 CA2 (0.55) CA2TSHRGABRA1GABRB2ALDH1A1
Propionaldehyde SCHEMBL28285975 0.84 MEN1 (0.36) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL28285972 0.83 CA2 (0.44) CA2TSHRGABRA1GABRB2MEN1
SCHEMBL30017938 0.81 PNMT (0.42) CA2TSHRALDH1A1PNMTCYP1A2
SCHEMBL16579377 0.81 PNMT (0.42) CA2TSHRALDH1A1PNMTCYP1A2
SCHEMBL11788984 0.81 TSHR (0.39) CA2TSHRALDH1A1PNMTCYP1A2
SCHEMBL28399443 0.81 TSHR (0.44) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL11792315 0.81 TSHR (0.44) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL9257718 0.81 P2RX7 (0.41) CA2TSHRGABRA1GABRB2ALDH1A1
SCHEMBL19785374 0.80 CA2 (0.48) CA2TSHRGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63270632-A None JP disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230365525-A1 ANTIVIRAL COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0442115-B1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1993-11-24 EP disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0442115-A1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1991-08-21 EP disclosed
JP-S63270632-A NOVEL DICHLOROTRIFLUOROMETHYLTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (8 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CA2 3057/4885TSHR 4759/4885GABRA1 4178/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CA2 3057/4885TSHR 4759/4885GABRA1 4178/4885
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CA2 2420/4885TSHR 3748/4885GABRA1 4233/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA2 4153/4885TSHR 216/4885GABRA1 80/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 CA2 1575/4885TSHR 97/4885GABRA1 108/4885
US-20230365525-A1 ANTIVIRAL COMPOUNDS ACE, ZC3HAV1, SARS1 CA2 1692/4885TSHR 3807/4885GABRA1 4282/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885TSHR 909/4885GABRA1 764/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS CA2 478/4885TSHR 11/4885GABRA1 1992/4885

“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.