SCHEMBL6789651

SCHEMBL6789651

CCC(C)C(C)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
GALR3 O60755 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALOX15 P16050 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12937361 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14991049 0.82 ALDH1A1 (0.33) TSHRMAPTALDH1A1LMNA
SCHEMBL4450340 0.80 ALDH1A1 (0.36) TSHRMAPTALDH1A1LMNA
SCHEMBL4450335 0.80 ALDH1A1 (0.32) TSHRALDH1A1LMNA
SCHEMBL6178551 0.79 TSHR (0.33) TSHR
SCHEMBL225284 0.78 MAPT (0.32) MAPTALDH1A1
SCHEMBL6789645 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14245160 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6724825 0.78 MAPT (0.32) MAPTALDH1A1
SCHEMBL13448612 0.78 ALDH1A1 (0.31) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1242983-C Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2006-02-22 CN disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
CN-1308603-A Phenoxyacetic acid derivatives and medicinal compositions containing the same KISSEI PHARMACEUTICAL (JP) 2001-08-15 CN disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
US-5164469-A Substrate for optical disks, ring opening polymerization of tetracyclododecene derivatives JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-11-17 US disclosed
EP-0277816-B1 A POLYSILOXANE CONTAINING HYDROXYL GROUPS AND A SILICONE-MODIFIED POLYURETHANE USING THE SAME Chisso Corporation (JP) 1992-01-29 EP disclosed
US-5053471-A Methathesis ring opening polymerization of polar substituted norbornenes or octahydromethanonphthalenes; optics JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-10-01 US disclosed
EP-0409291-A2 Thermoplastic resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-01-23 EP disclosed
US-4839443-A WATER, OIL REPELLENCY; FRICTION, THROMBOSIS RESISTANCE CHISSO CORPORATION (JP) 1989-06-13 US disclosed
EP-0317262-A2 Transparent resin material JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-05-24 EP disclosed
EP-0277816-A1 A polysiloxane containing hydroxyl groups and a silicone-modified polyurethane using the same Chisso Corporation (JP) 1988-08-10 EP 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 TSHR 1686/4885CHRM2 4035/4885CHRM4 4355/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 TSHR 1631/4885CHRM2 4052/4885CHRM4 4370/4885

“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.