SCHEMBL1131187

SCHEMBL1131187

CC(C)(C)SCCCCSc1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 4/20 0.69
BCHE P06276 1/20 0.67
ALDH1A1 P00352 2/20 0.64
AR P10275 4/20 0.62
EPHX2 P34913 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 4/20 0.59
TXN P10599 1/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL1131294 0.99 RAB9A (0.68) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL1131196 0.99 RAB9A (0.68) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL1130695 0.97 RAB9A (0.69) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14304932 0.88 BCHE (0.86) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14303261 0.86 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL6141660 0.86 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14303260 0.86 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14304381 0.86 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
SCHEMBL14304387 0.86 BCHE (0.83) RAB9ANPC1BCHEALDH1A1AR
Bromide SCHEMBL5084026 0.85 BCHE (0.80) RAB9ANPC1BCHEALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed
US-6995294-B2 Method for producing bisphenol catalysts and bisphenols GENERAL ELECTRIC COMPANY (US) 2006-02-07 US disclosed
US-6992228-B2 Method for producing bisphenol catalysts and bisphenols GENERAL ELECTRIC COMPANY (US) 2006-01-31 US disclosed
US-20050090696-A1 Method for producing bisphenol catalysts and bisphenols SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2005-04-28 US disclosed
US-20050090697-A1 Method for producing bisphenol catalysts and bisphenols SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2005-04-28 US disclosed
US-6884894-B2 Method for producing bisphenol catalysts and bisphenols GENERAL ELECTRIC COMPANY (US) 2005-04-26 US disclosed
US-6872860-B1 Method for producing bisphenol catalysts and bisphenols GENERAL ELECTRIC COMPANY (US) 2005-03-29 US disclosed
US-6620939-B2 Reacting phenol and acetone in the presence of acid catalysts or promoters such as 2-(3'-tert-butylthiopropylthioethyl)-pyridine on catalyst supports, to form isopropylidenediphenol; stereospecific GENERAL ELECTRIC COMPANY 2003-09-16 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-20050090697-A1 Method for producing bisphenol catalysts and bisphenols GSTP1, PCBP1, GSTA2 RAB9A 4540/4885NPC1 4565/4885BCHE 2726/4885
US-20050090696-A1 Method for producing bisphenol catalysts and bisphenols GSTP1, PCBP1, GSTA2 RAB9A 4540/4885NPC1 4565/4885BCHE 2726/4885

“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.