SCHEMBL1129415

SCHEMBL1129415

CC(C)(C)SCCCCSc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.67
CYP2D6 P10635 3/20 0.67
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
GFER P55789 1/20 0.63
NPC1 O15118 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
CYP2C19 P33261 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 1/20 0.60
STAT6 P42226 1/20 0.60
HTR1A P08908 1/20 0.59
HTR2A P28223 1/20 0.59
HTR7 P34969 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 2/20 0.58

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
SCHEMBL1129918 0.99 CYP1A2 (0.65) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1129828 0.99 CYP1A2 (0.65) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1130354 0.97 CYP1A2 (0.67) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6141647 0.86 CYP1A2 (0.83) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL5084016 0.85 CYP1A2 (0.80) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15501213 0.82 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11339285 0.82 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2208304 0.82 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19614388 0.82 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E
SCHEMBL11299646 0.82 CYP1A2 (0.71) CYP1A2CYP2D6SMN1; SMN2ALDH1A1KDM4E

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-20050090697-A1 Method for producing bisphenol catalysts and bisphenols SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2005-04-28 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-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 CYP1A2 533/4885CYP2D6 666/4885SMN1; SMN2 4663/4885
US-20050090696-A1 Method for producing bisphenol catalysts and bisphenols GSTP1, PCBP1, GSTA2 CYP1A2 533/4885CYP2D6 666/4885SMN1; SMN2 4663/4885

“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.