SCHEMBL9588776

SCHEMBL9588776

CCc1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
TSHR P16473 1/20 0.52
PARP1 P09874 1/20 0.41
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KIF11 P52732 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25505996 0.84 ALOX15 (0.40) ALOX15ALOX12TSHRPARP1TRPA1
SCHEMBL9589157 0.84 ALOX15 (0.50) ALOX15ALOX12TSHRTRPA1CYP1A2
SCHEMBL31009079 0.82 ALOX15 (0.55) ALOX15ALOX12TSHRCYP1A2HPGD
SCHEMBL4014702 0.82 ALOX15 (0.51) ALOX15ALOX12TSHRCYP1A2HPGD
SCHEMBL28231963 0.82 ALOX15 (0.51) ALOX15ALOX12TSHRCYP1A2HPGD
SCHEMBL25084169 0.82 ALOX15 (0.55) ALOX15ALOX12TSHRCYP1A2HPGD
SCHEMBL2663369 0.82 CTNNB1 (0.41) ALOX15ALOX12PARP1TRPA1NPC1
SCHEMBL11630777 0.82 ALOX15 (0.51) ALOX15ALOX12TSHRTRPA1CYP1A2
SCHEMBL10921758 0.82 PARP1 (0.40) ALOX15ALOX12TSHRPARP1TRPA1
SCHEMBL2663547 0.82 PARP1 (0.40) ALOX15ALOX12PARP1TRPA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178547-A1 BENZOXAZINE POLYMERS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-10414864-B2 Degradable amino acid-based poly (ester urea) copolymer adhesives THE UNIVERSITY OF AKRON (US) 2019-09-17 US disclosed
US-10336862-B2 Biodegradable polymers with pendant functional groups attached through amide bonds THE UNIVERSITY OF AKRON (US) 2019-07-02 US disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20170247506-A1 BIODEGRADABLE POLYMERS WITH PENDANT FUNCTIONAL GROUPS ATTACHED THROUGH AMIDE BONDS THE UNIVERSITY OF AKRON 2017-08-31 US disclosed
US-20170247506-A1 BIODEGRADABLE POLYMERS WITH PENDANT FUNCTIONAL GROUPS ATTACHED THROUGH AMIDE BONDS THE UNIVERSITY OF AKRON 2017-08-31 US disclosed
US-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES THE UNIVERSITY OF AKRON (US) 2017-07-27 US disclosed
US-9593201-B2 Biodegradable polymers with pendant functional groups attached through amide bonds THE UNIVERSITY OF AKRON (US) 2017-03-14 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-5214034-A Improved secretion of nerve growth factor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-05-25 US disclosed
US-5102906-A Alzheimer*s disease MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-04-07 US disclosed
EP-0261977-B1 CATECHOL DERIVATIVES, AND PREVENTIVE AND REMEDIAL PREPARATIONS FOR REGRESSIVE DISORDERS IN THE CENTRAL NERVOUS SYSTEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-04 EP disclosed
US-4985458-A TREATMENT OF ALZHEIMER*S DISEASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-15 US disclosed
EP-0261977-A2 Catechol derivatives, and preventive and remedial preparations for regressive disorders in the central nervous system MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 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 (8 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 ALOX15 2944/4885ALOX12 2894/4885TSHR 3877/4885
US-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES PNMT, UBE3A, PCNA ALOX15 1616/4885ALOX12 1505/4885TSHR 4612/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALOX15 3135/4885ALOX12 3082/4885TSHR 3010/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALOX15 2798/4885ALOX12 2705/4885TSHR 2723/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2798/4885ALOX12 2705/4885TSHR 2723/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2798/4885ALOX12 2705/4885TSHR 2723/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 2962/4885ALOX12 2902/4885TSHR 2724/4885
US-10414864-B2 Degradable amino acid-based poly (ester urea) copolymer adhesives PNMT, UBE3A, PCNA ALOX15 1616/4885ALOX12 1505/4885TSHR 4612/4885

“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.