SCHEMBL4268684

SCHEMBL4268684

CCc1c[nH]c(C(=O)O)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
FBP1 P09467 3/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL5960581 0.83 CDK8 (0.38) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL7121722 0.82 PRNP (0.38) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL27809850 0.80 CCNC (0.40) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL7824673 0.79 LMNA (0.39) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL8877986 0.79 BAZ2B (0.40) CYP1A2CCNCCDK8ALDH1A1KMT2A
SCHEMBL31502568 0.78 ALDH1A1 (0.42) CCNCCDK8ALDH1A1KMT2ATDP1
SCHEMBL1650715 0.77 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL31427531 0.76 GABRP (0.42) CYP1A2CYP2C9CYP2C19PPARGHIF1A
SCHEMBL9089075 0.75 NPSR1 (0.32) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL16236499 0.74 CCNC (0.36) PRNPCYP1A2CYP2C9CYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247392-B2 Materials for selective trapping of carbon monoxide CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-08-21 US disclosed
US-7521551-B2 Chlorins possessing fused ring systems useful as photoselective compounds for photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080275232-A1 CHLORINS POSSESSING FUSED RING SYSTEMS USEFUL AS PHOTOSELECTIVE COMPOUNDS FOR PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. 2008-11-06 US disclosed
EP-1414823-B1 MATERIALS FOR SELECTIVE TRAPPING OF CARBON MONOXIDE AIR LIQUIDE (FR) 2007-05-02 EP disclosed
US-20060287195-A1 Novel materials for selective trapping of carbon minixide CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-12-21 US disclosed
US-20050020560-A1 Chlorins processing fused ring systems useful as photoselective compounds for photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. 2005-01-27 US disclosed
US-6794505-B1 Chlorins possessing fused ring systems useful as photoselective compounds for photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. 2004-09-21 US disclosed
WO-2001074818-A1 CHLORINS WITH FUSED RINGS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2001-10-11 WO disclosed
US-5672717-A ANTITUMOR AGENTS TREATING CANCER IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-30 US disclosed
US-5554764-A DIPYRROMETHANES ARE CLAIMED. IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-09-10 US disclosed
US-5446166-A Reacting isocyanoacetate with prophosphatrane and acyl halide or acid anhydride IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1995-08-29 US disclosed
US-5367084-A Preparation of pyrrol and oxazole compounds: formation of porphyrins and c-acyl-α-amino acid esters therefrom IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1994-11-22 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-20080275232-A1 CHLORINS POSSESSING FUSED RING SYSTEMS USEFUL AS PHOTOSELECTIVE COMPOUNDS FOR PHOTODYNAMIC THERAPY PPOX, HMBS, DDT PRNP 4560/4885CYP1A2 973/4885CYP2C9 504/4885
US-20060287195-A1 Novel materials for selective trapping of carbon minixide CBR1, CBR3, FOXM1 PRNP 3497/4885CYP1A2 917/4885CYP2C9 620/4885
US-20050020560-A1 Chlorins processing fused ring systems useful as photoselective compounds for photodynamic therapy PPOX, HMBS, DDT PRNP 4513/4885CYP1A2 901/4885CYP2C9 476/4885

“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.