SCHEMBL6941193

SCHEMBL6941193

CC(C)(C)C[SiH2]c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.34
SLC6A2 P23975 1/20 0.34
RIPK1 Q13546 3/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6575923 0.73 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1HIF1ATP53
SCHEMBL9066522 0.72 KCNH2 (0.32) TP53
SCHEMBL311787 0.70
Chloromethane SCHEMBL27694215 0.70 TAAR1 (0.39) TAAR1SLC6A2CYP3A4LMNACYP2D6
Fluoride SCHEMBL27930946 0.69 TP53 (0.39) ESR1ESR2ALDH1A1LMNAMAPK1
SCHEMBL28458487 0.67 MAPK1 (0.31) MAPK1
SCHEMBL22730225 0.67 TAAR1 (0.41) TAAR1ESR1ESR2ALDH1A1CYP3A4
SCHEMBL3682860 0.67 TP53 (0.38) ALDH1A1CYP3A4LMNAMAPK1TP53
SCHEMBL10523373 0.67 TP53 (0.32) TAAR1SLC6A2ALDH1A1LMNAMAPK1
SCHEMBL10398619 0.66 TAAR1 (0.36) TAAR1ESR1ESR2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971889-B1 PROCESS FOR SYNTHESIZING CARBAPENEM INTERMEDIATES MERCK & CO INC (US) 2003-08-13 EP claimed
EP-1015452-B1 OPTIONALLY PROTECTED 3-HYDROXYMETHYL CARBAPENEMS AND SYNTHESIS MERCK & CO INC (US) 2003-07-23 EP claimed
US-6346617-B1 ANTIBIOTICS FORMED BY MULTISTAGE REACTION WITH CATALYTIC OXIDATION AND CONDENSATION MERCK & CO., INC. 2002-02-12 US claimed
EP-1015452-A4 OPTIONALLY PROTECTED 3-HYDROXYMETHYL CARBAPENEMS AND SYNTHESIS MERCK & CO INC (US) 2001-07-11 EP claimed
EP-0971889-A4 PROCESS FOR SYNTHESIZING CARBAPENEM INTERMEDIATES MERCK & CO INC (US) 2001-01-17 EP claimed
EP-1015452-A1 OPTIONALLY PROTECTED 3-HYDROXYMETHYL CARBAPENEMS AND SYNTHESIS Merck & Co., Inc. (US) 2000-07-05 EP claimed
US-6080854-A Process for synthesizing carbapenem intermediates MERCK & CO., INC. (US) 2000-06-27 US claimed
EP-0971889-A1 PROCESS FOR SYNTHESIZING CARBAPENEM INTERMEDIATES Merck & Co., Inc. (US) 2000-01-19 EP claimed
US-5973142-A Process for synthesizing carbapenem intermediates MERCK & CO., INC. 1999-10-26 US claimed
WO-1999010348-A1 OPTIONALLY PROTECTED 3-HYDROXYMETHYL CARBAPENEMS AND SYNTHESIS MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1998031666-A1 PROCESS FOR SYNTHESIZING CARBAPENEM INTERMEDIATES MERCK & CO., INC. (US) 1998-07-23 WO claimed
US-10253038-B2 Fusicoccane derivatives and methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-04-09 US disclosed
US-20180312518-A1 Fusicoccane Derivatives and Methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-11-01 US disclosed
EP-0971889-B1 PROCESS FOR SYNTHESIZING CARBAPENEM INTERMEDIATES MERCK & CO INC (US) 2003-08-13 EP disclosed
EP-1015452-B1 OPTIONALLY PROTECTED 3-HYDROXYMETHYL CARBAPENEMS AND SYNTHESIS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0126709-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AZETIDINONES CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
EP-0167155-B1 BETA-LACTAM COMPOUND AND PREPARING THEREOF KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-03-08 EP disclosed
US-4791198-A CHEMICAL INTERMEDIATES FOR THIENAMYCINS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-12-13 US disclosed
EP-0167155-A1 beta-Lactam compound and preparing thereof KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-08 EP disclosed
EP-0126709-A1 Process for the preparation of optically active azetidinones CIBA-GEIGY AG (CH) 1984-11-28 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-20180312518-A1 Fusicoccane Derivatives and Methods FGB, BLVRB, GNE TAAR1 3999/4885SLC6A2 4823/4885RIPK1 990/4885
US-10253038-B2 Fusicoccane derivatives and methods FGB, BLVRB, GNE TAAR1 3999/4885SLC6A2 4823/4885RIPK1 990/4885

“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.