SCHEMBL2388964

SCHEMBL2388964

COc1c(Cl)cc(CO)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
RORC P51449 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
DBH P09172 1/20 0.44
KMT2A Q03164 2/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD3 P35462 2/20 0.40
TPMT P51580 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL16411031 0.86 THRB (0.44) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL10632545 0.84 ALDH1A1 (0.46) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL30642476 0.80 MAPT (0.42) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL26623953 0.80 MAPT (0.42) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL4008223 0.79 THRB (0.63) THRBRORCTAS1R3TAS1R1TAS1R2
SCHEMBL31296547 0.79 MAPT (0.41) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL19358661 0.79 TPMT (0.43) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL19629677 0.79 PTGS2 (0.58) MAPTALDH1A1KDM4EGAADBH
SCHEMBL6941573 0.77 ALDH1A1 (0.44) MAPTTHRBRORCALDH1A1KDM4E
SCHEMBL6943761 0.77 KDM4E (0.48) ALDH1A1KDM4EGAADBHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-6743816-B2 CYCLOOXYGENASE INHIBITORS WITH SELECTIVITY FOR THE ISOFORM 2 (COX-2); 4-CHLORO-5-(4-ISOPROPOXYPHENYL)-1-(4-METHYLSULFONYL PHENYL)IMIDAZOLE; CHLORINATION J. URIACH & CIA S.A. (ES) 2004-06-01 US disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
US-20030176481-A1 Novel imidazole derivatives with anti-inflammatory activity J. URIACH & CIA S.A. (ES) 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 WO disclosed
EP-1270559-A1 NOVEL IMIDAZOLE DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-01-02 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-20030176481-A1 Novel imidazole derivatives with anti-inflammatory activity IL1B, IL1A, MIF MAPT 2320/4885THRB 3577/4885RORC 128/4885
US-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 MAPT 4595/4885THRB 4202/4885RORC 879/4885

“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.