SCHEMBL12200316

SCHEMBL12200316

O=C1CC(c2ccccc2)c2ccccc2O1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
HPGD P15428 3/20 0.68
ALDH2 P05091 1/20 0.68
GAA P10253 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CTRC Q99895 1/20 0.54
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
THRB P10828 2/20 0.49
GLA P06280 1/20 0.49
SIRT2 Q8IXJ6 4/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9223130 1.00 ALDH1A1 (0.68) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL12200287 1.00 ALDH1A1 (0.68) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL14852665 1.00 ALDH1A1 (0.68) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL13236779 0.87 ALDH1A1 (0.69) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL13236778 0.83 ALDH1A1 (0.75) ALDH1A1HPGDALDH2MEN1MAPT
SCHEMBL10824780 0.83 CTRB1 (0.56) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL13194998 0.81 ALDH1A1 (0.79) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL4878921 0.81 ALDH1A1 (1.00) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL9228116 0.81 ALDH1A1 (0.70) ALDH1A1HPGDALDH2GAAHSD17B10
SCHEMBL12856664 0.81 ALDH1A1 (0.70) ALDH1A1HPGDALDH2GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10561666-B2 Amido compounds as RORγt modulators and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-9765063-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2017-09-19 US disclosed
US-9765063-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2017-09-19 US disclosed
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2017-03-09 US disclosed
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2017-03-09 US disclosed
US-9518076-B2 Apparatus and process for preparing reactive lignin with high yield from plant biomass for production of fuels and chemicals WASHINGTON STATE UNIVERSITY (US) 2016-12-13 US disclosed
US-9492439-B2 Amido compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-11-15 US disclosed
US-9309215-B2 Chiral intermediate, process for producing the same and its use in the manufacture of tolterodine, fesoterodine, or the active metabolite thereof UCB PHARMA GMBH (DE) 2016-04-12 US disclosed
US-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS WASHINGTON STATE UNIVERSITY (US) 2015-04-09 US disclosed
US-20150057278-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 US disclosed
US-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF UCB PHARMA GMBH (DE) 2014-08-14 US disclosed
US-8742140-B2 Chiral intermediate, process for producing the same and its use in the manufacture of tolterodine, fesoterodine, or the active metabolite thereof UCB PHARMA GMBH (DE) 2014-06-03 US disclosed
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-04-04 US disclosed
US-20110245338-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF UCB PHARMA GMBH (DE) 2011-10-06 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 (7 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-20150099868-A1 APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS HAAO, HAO2, HAO1 ALDH1A1 1709/4885HPGD 108/4885ALDH2 1000/4885
US-20110245338-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF CYP1B1, NISCH, HSD17B7 ALDH1A1 780/4885HPGD 498/4885ALDH2 1270/4885
US-10561666-B2 Amido compounds as RORγt modulators and uses thereof RORB, RORA, RORC ALDH1A1 1130/4885HPGD 1073/4885ALDH2 2070/4885
US-20170065606-A1 AMIDO COMPOUNDS AS RORyt MODULATORS AND USES THEREOF RORB, RORA, RORC ALDH1A1 1551/4885HPGD 2100/4885ALDH2 2489/4885
US-20150057278-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORB, RORA, RORC ALDH1A1 2099/4885HPGD 1214/4885ALDH2 2382/4885
US-20140228434-A1 CHIRAL INTERMEDIATE, PROCESS FOR PRODUCING THE SAME AND ITS USE IN THE MANUFACTURE OF TOLTERODINE, FESOTERODINE, OR THE ACTIVE METABOLITE THEREOF CYP1B1, NISCH, HSD17B7 ALDH1A1 780/4885HPGD 498/4885ALDH2 1270/4885
US-20130085162-A1 AMIDO COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORB, RORA, RORC ALDH1A1 1551/4885HPGD 2100/4885ALDH2 2489/4885

“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.