SCHEMBL6561636

SCHEMBL6561636

Cc1cc(O)ccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
MCL1 Q07820 1/20 0.47
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM1 P11229 1/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
ESR2 Q92731 6/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
APP P05067 2/20 0.40
ACHE P22303 1/20 0.40
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9056396 0.87 ESR1 (0.40) ESR1MCL1ALOX15CYP3A4ESR2
SCHEMBL8956467 0.81 MCL1 (0.47) ESR1MCL1ALOX15CYP3A4CHRM1
SCHEMBL11434258 0.78 APP (0.55) MCL1ALOX15CYP3A4ALDH1A1TSHR
SCHEMBL20385011 0.76 ACHE (0.43) ESR1ALOX15CYP3A4CHRM1MAOA
SCHEMBL11503436 0.75 ALDH1A1 (0.44) ESR1MCL1CYP3A4ESR2ALDH1A1
SCHEMBL1367532 0.75 TDP1 (0.44) ESR1ALOX15CYP3A4ALDH1A1TSHR
SCHEMBL8123248 0.74 MCL1 (0.46) ESR1MCL1ALOX15ESR2ALDH1A1
SCHEMBL31418072 0.74 MCL1 (0.46) MCL1ALOX15ALDH1A1TSHRAPP
SCHEMBL11409400 0.74 ESR2 (0.38) ESR1MCL1ALOX15CYP3A4CHRM1
SCHEMBL6515925 0.74 CYP3A4 (0.41) ESR1ALOX15CYP3A4CHRM1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301638-B1 Improved process for producing n-alkyl-carbamates ENICHEM SINTESI (IT) 1993-12-08 EP claimed
US-5021590-A Reacting alkyl isocyanates with phenols in solution using bicyclic amidine or guanidine catalyst ENICHEM SYNTHESIS SPA (IT) 1991-06-04 US claimed
EP-0190466-B1 PROCESS FOR THE PRODUCTION OF N-METHYLCARBAMATES ENICHEM SYNTHESIS S.p.A. (IT) 1990-11-28 EP claimed
US-4659845-A Process for the production of N-methylcarbamates ENICHEM SINTESI S.P.A. (IT) 1987-04-21 US claimed
EP-0190466-A1 Process for the production of N-Methylcarbamates ENICHEM SYNTHESIS S.p.A. (IT) 1986-08-13 EP claimed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
EP-0992524-B1 Process for preparing polyether polyols BAYER AG (DE) 2004-02-18 EP disclosed
US-6624321-B2 Metathesis ring-opening polymerization of cyclic ethers in the presence of catalysts such as aluminum bis(trifluoromethane-sulfonate) phenolate BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030097026-A1 Process for the preparation of polyether polyols DENNINGER UWE (DE) 2003-05-22 US disclosed
US-6492565-B2 USING ALKYLENE OXIDE IN PRESENCE OF LEWIS ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20010053866-A1 Process for the preparation of polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 US disclosed
EP-0992524-A2 Process for preparing polyether polyols BAYER AG (DE) 2000-04-12 EP disclosed
US-4211839-A SILVER HALIDE AND ORGANIC SILVER SALT PREPARED IN AN IMINO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1980-07-08 US disclosed
EP-0007987-A1 N-sulfenylated carbamoyloximino-1-methylthio butanes, process for their preparation and their use as insecticides BAYER AG (DE) 1980-02-20 EP disclosed
US-4188212-A BEZNOTRIAZOLE FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 US disclosed
EP-0005780-A1 N,N'-asymmetrically substituted thio-bis-amines, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-12-12 EP disclosed
US-4163105-A Aryloxymethyl imidazolines THE DOW CHEMICAL COMPANY (US) 1979-07-31 US disclosed
US-4122089-A Aminothiofluoran compounds, process for the production thereof, and recording elements containing the same SANKIO CHEMICAL CO., LTD. (JP) 1978-10-24 US disclosed
US-4020084-A Cyclic aminals of aromatic aldehydes BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 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-20030097026-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 ESR1 640/4885MCL1 510/4885ALOX15 274/4885
US-20010053866-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 ESR1 640/4885MCL1 510/4885ALOX15 274/4885

“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.