SCHEMBL6779943

SCHEMBL6779943

COc1cc(C=O)c(-c2ccc(Cl)cc2Cl)cc1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.50
TTR P02766 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CXCL12 P48061 4/20 0.43
AR P10275 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
AOX1 Q06278 1/20 0.42
TRIM24 O15164 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6781489 0.87 ERN1 (0.61) ERN1TTRTDP1CXCL12AR
SCHEMBL6535907 0.84 ERN1 (0.61) ERN1TDP1CXCL12ARALDH1A1
SCHEMBL1054210 0.80 ALDH1A1 (0.55) ERN1TDP1ALDH1A1HPGDAOX1
SCHEMBL6535891 0.80 ERN1 (0.49) ERN1ALDH1A1AOX1
SCHEMBL6785114 0.77 ERN1 (0.60) ERN1TDP1ALDH1A1HPGDAOX1
SCHEMBL6782462 0.77 ERN1 (0.58) ERN1TDP1ALDH1A1HPGDAOX1
SCHEMBL6782227 0.74 ALDH1A1 (0.47) ERN1ACHETDP1ALDH1A1HPGD
SCHEMBL6781018 0.74 ERN1 (0.55) ERN1TDP1ALDH1A1HPGDAOX1
SCHEMBL6782947 0.74 ERN1 (0.49) ERN1TDP1ALDH1A1HPGDAOX1
SCHEMBL6781294 0.74 HTT (0.59) ERN1TTRTDP1CXCL12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ERN1 1774/4885TTR 831/4885ACHE 1177/4885

“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.