SCHEMBL6535886

SCHEMBL6535886

CC(C)(C)c1ccccc1OBOc1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CA2 P00918 1/20 0.39
MAPT P10636 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
BCHE P06276 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL14211028 0.83 ALDH1A1 (0.45) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL30500977 0.78 ALDH1A1 (0.48) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL127278 0.78 ALDH1A1 (0.48) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL163206 0.77 PPARG (0.40) TDP1ALDH1A1GAARXRARXRB
SCHEMBL4682656 0.77 TDP1 (0.41) TDP1ATMALDH1A1TSHRHSD17B10
SCHEMBL142899 0.76 CA2 (0.57) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL6933536 0.76 ALDH1A1 (0.46) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL29771456 0.76 CA2 (0.57) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL309339 0.74 ALDH1A1 (0.50) TDP1ATMALDH1A1TSHRCYP1A2
SCHEMBL2536939 0.74 TDP1 (0.49) TDP1ATMALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 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 (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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 TDP1 1311/4885ATM 1578/4885ALDH1A1 2602/4885

“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.