Sugi Predict

Sugi Predict / Compounds / SCHEMBL3976186

SCHEMBL3976186

SCHEMBL3976186

COC1C(=O)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ ACP3 P15309 1/20 0.42
▸ RET P07949 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ ANPEP P15144 2/20 0.39
▸ CETP P11597 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ PIN1 Q13526 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
SCHEMBL8212470 0.86 CHRNA7 (0.49) CHRNA7CYP3A4CYP2D6HIF1ACHRNB2
SCHEMBL27843774 0.80 HSP90AA1 (0.36) KDM4EALDH1A1
SCHEMBL17457429 0.77 GID4 (0.44) HTR2APDPK1
SCHEMBL942484 0.75 ANPEP (0.38) CHRNA7CYP3A4CYP2D6HIF1ASMN1; SMN2
SCHEMBL3699226 0.75 XIAP (0.52) CHRNA7CYP3A4CYP2D6HIF1AKDM4E
SCHEMBL948086 0.75 ACP3 (0.46) ACP3RETHTR2AANPEPPDPK1
SCHEMBL1870242 0.74 HTR2A (0.53) ACP3RETHTR2AANPEPPDPK1
SCHEMBL20749590 0.74 PDPK1 (0.50) CYP3A4CYP2D6HIF1AACP3RET
SCHEMBL16866691 0.74 HTR2A (0.47) CHRNA7CYP3A4CYP2D6HIF1ACHRNB2
SCHEMBL12066332 0.74 HTR2A (0.52) HTR2AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397139-A Preparation method for (2R)-5-methoxy-1,2,3,4-tetrahydro-2-naphthol 王际菊 2017-02-15 — — CN disclosed
CN-103534353-B Modification type aminopherase, its gene and utilize their manufacture method of optical activity amino-compound 株式会社钟化 2016-08-17 — — CN disclosed
CN-103880621-A Reduction method for preparing 7-methoxy-2-tetralone NANTONG BAISHENG CHEMICAL CO LTD 2014-06-25 — — CN disclosed
EP-1554240-B1 SUBSTITUTED TETRALINS AND INDANES AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2009-05-06 — — EP disclosed
US-7351857-B2 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-01 — — US disclosed
US-20060247314-A1 Substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 — — US disclosed
US-20060094786-A1 Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 — — US disclosed
US-20060074130-A1 Methods of using substituted tetralins and indanes JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-06 — — US disclosed
EP-1569897-A1 SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-07 — — EP disclosed
EP-1556344-A1 TREATING SYNDROME X WITH SUBSTITUTED TETRALINS AND INDANES JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-27 — — EP disclosed
EP-1272471-A1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS Akzo Nobel N.V. (NL) 2003-01-08 — — EP disclosed
WO-2001072713-A1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS AKZO NOBEL N.V. (NL) 2001-10-04 — — WO disclosed
US-6271005-B1 BY STEREOSPECIFIC ACYLATION BY THE ENZYME PSEUDOMONAS CEPACIA LIPASE OF ONE STEREOISOMER WHILE LEAVING THE OTHER UNCHANGED; 5-METHOXY-2-AMINOTETRALIN CHEMICAL INTERMEDIATES TO A 2-AMINOTETRALIN-ETHYLTHIOPHENE PARKINSON'S DRUG TORCAN CHEMICAL LIMITED (CA) 2001-08-07 — — US disclosed
EP-0405344-A2 2-Amino-1,2,3,4,-tetrahydronaphthalene derivatives with cardiovascular activity, process for their preparation and pharmaceutical compositions containing them CHIESI FARMACEUTICI S.p.A. (IT) 1991-01-02 — — EP disclosed
US-4308266-A 1,2,3,4-Tetrahydro-2-piperazinyl-naphthalenes for treating hypertension SANDOZ LTD. (CH) 1981-12-29 — — US disclosed
EP-0000395-B1 2-PIPERAZINOTETRALINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES SANDOZ AG (CH) 1981-01-07 — — EP disclosed
US-4237306-A ELECTROPHILIC REACTIONS WITH ALKYL ARYL KETONES TO PRODUCE METHYL ARYL ALKANOATES EMERY INDUSTRIES, INC. (US) 1980-12-02 — — US disclosed
US-4172955-A REARRANGMENT OF A CINNAMALDEHYDE TO A PHENYLMALONDIALDEHYDE TETRAMETHYL DISACETAL EMERY INDUSTRIES, INC. (US) 1979-10-30 — — US disclosed
EP-0000395-A1 2-Piperazinotetraline derivatives, their preparation and their use as medicines SANDOZ AG (CH) 1979-01-24 — — EP disclosed
US-4067823-A Thallium(III) reagents supported on montmorillonite clay minerals and oxythallation processes for utilizing same EMERY INDUSTRIES, INC. (US) 1978-01-10 — — 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 (3 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-20060094786-A1 Treating syndrome X with substituted tetralins and indanes PPARG, PPARA, PPARD CHRNA7 1122/4885CYP3A4 1804/4885CYP2D6 3046/4885
US-20060074130-A1 Methods of using substituted tetralins and indanes PPARA, PPARG, PPARD CHRNA7 1725/4885CYP3A4 509/4885CYP2D6 1858/4885
US-20060247314-A1 Substituted tetralins and indanes PPARA, PPARG, PPARD CHRNA7 2830/4885CYP3A4 455/4885CYP2D6 2172/4885

“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.