SCHEMBL4267995

SCHEMBL4267995

Cc1cccc2c(C)cc[c]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.52
CYP2A6 P11509 3/20 0.52
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
KIF11 P52732 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL668081 0.84 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL20973057 0.83 CYP2A6 (0.42) CYP1A2CYP2A6ALDH1A1TSHRCA1
SCHEMBL12476500 0.81 CYP1A2 (0.41) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2256297 0.79 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1TSHRCA1
SCHEMBL2250625 0.77
SCHEMBL67474 0.76 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL18317392 0.75 ALDH1A1 (0.48) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL668494 0.74 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL386156 0.74 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1535637 0.73 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051268-A2 HIV PROTEASE INHIBITORS AGAINST PICORNAVIRUS INFECTION THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-09 WO disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 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-0931071-B1 METHODS OF MAKING HIV-PROTEASE INHIBITORS AND INTERMEDIATES FOR MAKING THEM AGOURON PHARMA (US) 2008-06-04 EP disclosed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
CN-1305854-C Intermediates for the preparation of HIV protease inhibitors and process for the preparation of HIV protease inhibitors AGOURON PHARMA INC (US) 2007-03-21 CN disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
CN-1266140-C Process for preparing oxazolines from tetrahydrofurans AGOURON PHARMA INC (US) 2006-07-26 CN disclosed
EP-0604184-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 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 (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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG CYP1A2 2757/4885CYP2A6 1769/4885ALDH1A1 2628/4885
US-20080275232-A1 CHLORINS POSSESSING FUSED RING SYSTEMS USEFUL AS PHOTOSELECTIVE COMPOUNDS FOR PHOTODYNAMIC THERAPY PPOX, HMBS, DDT CYP1A2 973/4885CYP2A6 801/4885ALDH1A1 1906/4885

“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.