SCHEMBL3517667

SCHEMBL3517667

CCOC(=O)CCCCC(C)Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPA1 O75762 1/20 0.43
DGKA P23743 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL2715956 0.98 CYP1A2 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL15009773 0.98 CYP1A2 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL10578789 0.98 CYP1A2 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL4178222 0.94 CYP1A2 (0.53) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL1206813 0.86 L3MBTL1 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL952321 0.84 CYP1A2 (0.55) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL18702386 0.83 CYP1A2 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL27750312 0.83 KMT2A (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL18702435 0.83 CYP1A2 (0.50) CYP1A2KMT2ACYP3A4TSHRTDP1
SCHEMBL15130566 0.82 CYP1A2 (0.53) CYP1A2KMT2ACYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194787-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2010-06-16 EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-4885373-A AMINE DERVIVATIVES USED AS ANTIDEPRESSANT AND DOPAMINERGIC STIMULANTS ADIR ET CIE (FR) 1989-12-05 US disclosed
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 US disclosed
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
EP-0108592-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1987-09-30 EP disclosed
US-4661505-A 4-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY) ALKANOIC ACIDS, TETRAZOLES, AND DERIVATIVES ELI LILLY AND COMPANY (US) 1987-04-28 US disclosed
US-4460595-A Using urazole analogs of prostaglandins for bronchodilation BEECHAM GROUP LIMITED (GB) 1984-07-17 US disclosed
EP-0108592-A1 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1984-05-16 EP disclosed
US-4367338-A BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1983-01-04 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 (1 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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 CYP1A2 3359/4885KMT2A 125/4885CYP3A4 2698/4885

“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.