SCHEMBL196991

SCHEMBL196991

Clc1cccc2c1C=CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
ADRA2A P08913 3/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PNMT P11086 1/20 0.34
AHR P35869 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HTR5A P47898 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL19899015 0.78 ADRA2A (0.36) CYP1A2CYP2A6ADRA2AADRA2BADRA2C
SCHEMBL11482406 0.78 CYP2D6 (0.36) CYP1A2CYP2A6ADRA2AADRA2BADRA2C
SCHEMBL25429169 0.77 TSHR (0.41) CYP1A2CYP2A6TSHRMEN1ALDH1A1
SCHEMBL26606283 0.76 CA1 (0.34) CYP1A2CA1CA2ALDH1A1
SCHEMBL28185262 0.76 ALDH1A1 (0.36) TSHRLMNACA1CA2MEN1
SCHEMBL277191 0.74 CA1 (0.33) CA1CA2
SCHEMBL319418 0.73 CYP2A6 (0.35) CYP1A2CYP2A6TSHRCA1CA2
SCHEMBL5791754 0.73 ALDH1A1 (0.38) TSHRLMNACA1CA2MEN1
SCHEMBL277192 0.73 BCL2L1 (0.39) CYP1A2TSHRLMNACA1CA2
SCHEMBL1324313 0.73 CA1 (0.32) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US claimed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN claimed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP claimed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO claimed
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed
EP-3539993-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2019-09-18 EP disclosed
EP-3022233-B1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-01 EP disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
WO-2017216661-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE FROM 7-(4-CHLOROBUTOXY)QUINOLIN-2(1H)-ONE AND 1-(BENZO[B]THIOPHEN-4-YL)PIPERAZINE Jubilant Generics Limited (IN) 2017-12-21 WO disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO disclosed
US-6271395-B1 E.G.,(.+-.)-N-(2,3-DIHYDRO-2-(1-PYRROLIDINYL)-1H-INDEN-1-Y1) -2 ,4-DINITRO-N-METHYL-BENZENE-ACETAMIDE; STRONG AFFINITY FOR OPTICAL RECEPTORS, CENTRAL ANALGESIC, DIURETIC, ANTIARRYTHMIC, HYPOTENSIVE AND ANTIISCHEMIC ACTIVITY. HOECHST MARION ROUSSOL (FR) 2001-08-07 US disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
US-5157182-A Conversion of ortho-ethyltoluene to indene AMOCO CORPORATION (US) 1992-10-20 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0258096-B1 INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE INTERMEDIATES OBTAINED ROUSSEL-UCLAF (FR) 1992-09-09 EP disclosed
EP-0258096-A2 Indane derivatives, process for their preparation, their use as medicines, pharmaceutical compositions containing them and the intermediates obtained ROUSSEL-UCLAF (FR) 1988-03-02 EP disclosed
US-4192888-A Pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-03-11 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 (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-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 CYP1A2 113/4885CYP2A6 331/4885ADRA2A 2228/4885
US-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 CYP1A2 2/4885CYP2A6 95/4885ADRA2A 2316/4885

“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.