SCHEMBL3918092

SCHEMBL3918092

C=CC(OC(C)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
KCNN4 O15554 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL25430781 0.86 ALDH1A1 (0.44) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL5962490 0.81 HTT (0.46) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL11265555 0.81 ALDH1A1 (0.38) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL28811606 0.80 ALDH1A1 (0.40) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL11379208 0.74 CYP2C19 (0.52) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL1096837 0.74 KCNN4 (0.47) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL5666953 0.74 KCNN4 (0.47) ALDH1A1TSHRKCNN4CYP2C19HIF1A
SCHEMBL11019163 0.74 MAPK1 (0.39) ALDH1A1TSHRKCNN4HTTKMT2A
SCHEMBL7123831 0.73 TSHR (0.48) ALDH1A1TSHRKCNN4HTTAKT1
SCHEMBL27570729 0.73 CYP2C19 (0.47) ALDH1A1TSHRKCNN4CYP2C19HIF1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001513805-A 2001-09-04 JP claimed
EP-0968220-A1 6,6'-BIS-(1-PHOSPHANORBORNADIENE) DIPHOSPHINES RHODIA CHIMIE (FR) 2000-01-05 EP claimed
WO-1998039345-A1 6,6'-BIS-(1-PHOSPHANORBORNADIENE) DIPHOSPHINES RHODIA CHIMIE (FR) 1998-09-11 WO claimed
US-20090182153-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALLYL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-07-16 US disclosed
EP-1658298-A2 NOVEL ORGANIC COMPOUNDS AND METAL COMPLEXES Solvias AG (CH) 2006-05-24 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
EP-1064290-A1 1-PHOSPHANORBORNADIENES RHODIA CHIMIE (FR) 2001-01-03 EP disclosed
WO-1999047530-A1 1-PHOSPHANORBORNADIENES RHODIA CHIMIE (FR) 1999-09-23 WO 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 (1 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-20090182153-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALLYL COMPOUND HRH4, OR10J3, RPS9 ALDH1A1 837/4885TSHR 621/4885KCNN4 2110/4885

“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.