SCHEMBL782544

SCHEMBL782544

O=CC1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
BLM P54132 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.42
GID4 Q8IVV7 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
RET P07949 1/20 0.41
HTR2A P28223 1/20 0.41
XBP1 P17861 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8699708 1.00 IDO1 (0.49) IDO1BLMTSHRHTTALDH1A1
SCHEMBL29663637 1.00 IDO1 (0.49) IDO1BLMTSHRHTTALDH1A1
SCHEMBL9159890 1.00 IDO1 (0.49) IDO1BLMTSHRHTTALDH1A1
SCHEMBL9722657 0.94 IDO1 (0.43) IDO1BLMTSHRHTTALDH1A1
SCHEMBL9165650 0.88 IDO1 (0.46) IDO1RETHTR2A
SCHEMBL21937667 0.88 IDO1 (0.46) IDO1RETHTR2A
SCHEMBL384149 0.88 IDO1 (0.46) IDO1RETHTR2A
Fluoride SCHEMBL29683041 0.86 IDO1 (0.44) IDO1RETHTR2A
SCHEMBL1567118 0.81 IDO1 (0.49) IDO1HTTALDH1A1CYP2D6LMNA
SCHEMBL6723016 0.81 IDO1 (0.49) IDO1HTTALDH1A1GID4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925530-B 3, 4-dihydronaphthalene-1 (2H) -one compound, preparation method and application 滨州医学院 2024-03-12 CN claimed
CN-115925530-A 3,4-dihydronaphthalene-1 (2H) -ketone compound, preparation method and application 滨州医学院 2023-04-07 CN claimed
CN-111018692-A Method for preparing 1,2,3, 4-tetrahydro-1-naphthoic acid by super-strong alkali method 安庆博曼生物技术有限公司 2020-04-17 CN claimed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP claimed
CN-1839116-B Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL CO 2010-05-26 CN claimed
JP-4361566-B2 2009-11-11 JP claimed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US claimed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP claimed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP claimed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US claimed
CN-1839116-A Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL CO (JP) 2006-09-27 CN claimed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO claimed
EP-0497976-B9 METHOD OF PRODUCING ACETALS NEW JAPAN CHEM CO LTD (JP) 2005-01-12 EP claimed
EP-0856515-B1 Method of making acetals MILLIKEN & CO (US) 2001-12-05 EP claimed
EP-0856515-A1 Method of making acetals MILLIKEN RESEARCH CORPORATION (US) 1998-08-05 EP claimed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP claimed
US-5731474-A Method of making acetals MILLIKEN RESEARCH CORPORATION (US) 1998-03-24 US claimed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO claimed
EP-0497976-B1 METHOD OF PRODUCING ACETALS NEW JAPAN CHEM CO LTD (JP) 1996-09-11 EP claimed
EP-0497976-A1 METHOD OF PRODUCING ACETALS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-08-12 EP 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 IDO1 948/4885BLM 3524/4885TSHR 515/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 IDO1 905/4885BLM 3540/4885TSHR 496/4885

“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.