SCHEMBL6867972

SCHEMBL6867972

COc1ccc2c(c1)cc(C=O)n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
CCR2 P41597 3/20 0.50
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PLA2G2A P14555 6/20 0.48
PLA2G1B P04054 1/20 0.48

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
SCHEMBL14154245 0.90 MTNR1A (0.56) ALDH1A1POLBHTTCCR2KMT2A
SCHEMBL30229439 0.85 P2RX4 (0.53) ALDH1A1POLBHTTCCR2KMT2A
SCHEMBL18247571 0.85 P2RX4 (0.53) ALDH1A1POLBHTTCCR2KMT2A
SCHEMBL4055635 0.84 GRIK1 (0.46) ALDH1A1POLBHTTCCR2GRIK1
SCHEMBL28263362 0.84 CCR2 (0.43) ALDH1A1POLBHTTCCR2GRIK1
SCHEMBL27862731 0.82 LMNA (0.53) ALDH1A1POLBHTTCCR2KMT2A
SCHEMBL30229786 0.82 CCR2 (0.48) ALDH1A1CCR2TSHR
SCHEMBL20853333 0.82 CCR2 (0.48) ALDH1A1CCR2TSHR
SCHEMBL10444001 0.81 ALDH1A1 (0.55) ALDH1A1POLBHTTCCR2GRIK1
SCHEMBL18002356 0.81 CCR2 (0.52) ALDH1A1CCR2KMT2A

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-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI ALDH1A1 952/4885POLB 2321/4885HTT 1436/4885

“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.