SCHEMBL4416388

SCHEMBL4416388

C1=Cc2cc3ccccc3c3c2c1cc1ccccc13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HIF1A Q16665 3/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 4/20 0.40
HPGD P15428 4/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
TRPM4 Q8TD43 1/20 0.39
CYP2A6 P11509 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
NQO2 P16083 2/20 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
SCHEMBL4852035 0.89 ALDH1A1 (0.41) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4853742 0.87 CYP1A2 (0.48) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4846793 0.86 CYP1A2 (0.48) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4925761 0.82 ALDH1A1 (0.38) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL30879493 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL25508 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4852007 0.78 HSD17B10 (0.60) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL9228626 0.78 CYP2A6 (0.47) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
Benzene SCHEMBL20788840 0.78 ALDH1A1 (0.48) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL17417171 0.78 L3MBTL1 (0.35) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 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
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
EP-1450774-A4 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARM INC (US) 2005-10-26 EP disclosed
EP-1401430-A4 SUBSTITUTED PORPHYRIN AND AZAPORPHYRIN DERIVATIVES AND THEIR USE IN PHOTODYNAMIC THERAPY, RADIOIMAGING AND MRI DIAGNOSIS MIRAVANT PHARM INC (US) 2005-10-19 EP disclosed
US-20050226810-A1 Substituted porphyrin and azaporphyrin derivatives and their use in photodynamic therapy, radioimaging and MRI diagnosis MIRAVANT PHARMACEUTICALS, INC. 2005-10-13 US disclosed
US-20050137180-A1 Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. 2005-06-23 US disclosed
US-6906050-B2 Substituted porphyrin and azaporphyrin derivatives and their use in photodynamic therapy, radioimaging and MRI diagnosis MIRAVANT PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
EP-1450774-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY Miravant Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-1401506-A2 METALLOTETRAPYRROLIC PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY Miravant Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
EP-1401430-A1 SUBSTITUTED PORPHYRIN AND AZAPORPHYRIN DERIVATIVES AND THEIR USE IN PHOTODYNAMIC THERAPY, RADIOIMAGING AND MRI DIAGNOSIS Miravant Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-20030105069-A1 Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy MIRAVANT PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030100752-A1 Substituted porphyrin and azaporphyrin derivatives and their use in photodynamic therapy, radioimaging and MRI diagnosis MIRAVANT PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028629-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
WO-2002096366-A2 METALLOTETRAPYRROLIC PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
WO-2002096417-A1 SUBSTITUTED PORPHYRIN AND AZAPORPHYRIN DERIVATIVES AND THEIR USE IN PHOTODYNAMIC THERAPY, RADIOIMAGING AND MRI DIAGNOSIS MIRAVANT PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
WO-2001074818-A1 CHLORINS WITH FUSED RINGS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2001-10-11 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 (5 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 HSD17B10 2961/4885ALDH1A1 1906/4885HIF1A 2595/4885
US-20030100752-A1 Substituted porphyrin and azaporphyrin derivatives and their use in photodynamic therapy, radioimaging and MRI diagnosis PPOX, HMBS, MPI HSD17B10 2933/4885ALDH1A1 1419/4885HIF1A 989/4885
US-20050226810-A1 Substituted porphyrin and azaporphyrin derivatives and their use in photodynamic therapy, radioimaging and MRI diagnosis PPOX, HMBS, MPI HSD17B10 2818/4885ALDH1A1 3401/4885HIF1A 2248/4885
US-20050137180-A1 Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy PPOX, HMBS, PYCR1 HSD17B10 1706/4885ALDH1A1 1723/4885HIF1A 3931/4885
US-20030105069-A1 Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy PPOX, HMBS, PYCR1 HSD17B10 1706/4885ALDH1A1 1723/4885HIF1A 3931/4885

“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.