SCHEMBL7067940

SCHEMBL7067940

CC1Nc2ccc(C(=O)O)cc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
RXRB P28702 4/20 0.40
RARB P10826 10/20 0.39
RARG P13631 9/20 0.39
RARA P10276 8/20 0.39
CYP26A1 O43174 2/20 0.39
CYP26B1 Q9NR63 1/20 0.39
RXRG P48443 3/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL2011496 0.77 KDM4E (0.41) RXRAPOLBRXRBCYP26A1CYP26B1
SCHEMBL304686 0.73 CA1 (0.38) RXRAPOLBRXRBRXRGCA12
SCHEMBL6539867 0.73 AR (0.38) POLBARLMNATP53
SCHEMBL5460910 0.72 AR (0.47) AR
SCHEMBL4618799 0.72 NNMT (0.38) RXRARXRBRARBRARGRARA
Bromide SCHEMBL6028566 0.71 PGR (0.41) SMN1; SMN2ARALDH1A1KDM4ETHRB
SCHEMBL17285619 0.70 POLB (0.47) SMN1; SMN2POLBCA12CA2CA4
SCHEMBL11371183 0.70 ALDH1A1 (0.44) SMN1; SMN2POLBARALDH1A1KDM4E
SCHEMBL27780572 0.70 RARB (0.41) RXRASMN1; SMN2POLBRXRBRARB
SCHEMBL7092850 0.70 SNCA (0.43) SMN1; SMN2POLBCA12CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 US disclosed
US-8398722-B2 Phenylpyrido [1,2-A] indolium-derived thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'OREAL (FR) 2013-03-19 US disclosed
US-20120266392-A1 PHENYLPYRIDO [1,2-A] INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2012-10-25 US disclosed
WO-2009037324-A2 PHENYLPYRIDO [1,2-A] INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 WO disclosed
US-20030211454-A1 Detection reagent GE HEALTHCARE UK LIMITED (GB) 2003-11-13 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 (3 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-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 RXRA 216/4885SMN1; SMN2 3271/4885POLB 3422/4885
US-20030211454-A1 Detection reagent DDT, DLD, DLK1 RXRA 2813/4885SMN1; SMN2 4569/4885POLB 1817/4885
US-20120266392-A1 PHENYLPYRIDO [1,2-A] INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, IK, PTMA RXRA 3264/4885SMN1; SMN2 4854/4885POLB 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.