SCHEMBL7427768

SCHEMBL7427768

CC(C)c1cc(C=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
CHRNA7 P36544 1/20 0.37
ALDH1A1 P00352 6/20 0.34
ALDH1A3 P47895 1/20 0.34
TSHR P16473 1/20 0.34
CYP2A6 P11509 3/20 0.34
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
AOX1 Q06278 1/20 0.32

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
SCHEMBL2560561 0.85 TYR (0.35) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL841444 0.85 TYR (0.35) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL2554581 0.85 TYR (0.35) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL15329686 0.82 TYR (0.33) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL2554013 0.82 TYR (0.33) TYRALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL15994039 0.79 ALDH1A1 (0.39) ALDH1A1TSHRCYP2A6FDPSKDM4E
SCHEMBL27435543 0.78 CNR2 (0.37) TYRCHRNA7ALDH1A1TSHRKDM4E
SCHEMBL2560556 0.77 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL15329693 0.77 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL31191175 0.76 ALDH1A1 (0.32) ALDH1A1ALDH1A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744273-B2 Sweetness enhancing volatile compositions and methods of increasing perceived sweetness of a comestible UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-09-05 US disclosed
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20190254322-A1 SWEETNESS ENHANCING VOLATILE COMPOSITIONS AND METHODS OF INCREASING PERCEIVED SWEETNESS OF A COMESTIBLE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2019-08-22 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
WO-2018053344-A1 SWEETNESS ENHANCING VOLATILE COMPOSITIONS AND METHODS OF INCREASING PERCEIVED SWEETNESS OF A COMESTIBLE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-03-22 WO disclosed
US-9751879-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
US-20170119034-A1 COMPOSITIONS AND METHODS FOR MODIFYING PERCEPTION OF SWEET TASTE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-05-04 US disclosed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 US disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
US-20130280400-A1 COMPOSITIONS AND METHODS FOR MODIFYING PERCEPTION OF SWEET TASTE NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO 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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 TYR 2668/4885CHRNA7 45/4885ALDH1A1 774/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS TYR 3371/4885CHRNA7 4869/4885ALDH1A1 2378/4885

“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.