SCHEMBL6697005

SCHEMBL6697005

NCCCOc1ccc2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
LTA4H P09960 2/20 0.49
PPARD Q03181 2/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
MAOA P21397 1/20 0.46
HDAC1 Q13547 1/20 0.45
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
AHR P35869 3/20 0.43
CMA1 P23946 1/20 0.43
TYR P14679 1/20 0.43
DRD2 P14416 1/20 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
Hydrochloric Acid SCHEMBL1585423 0.90 MEN1 (0.56) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL3794904 0.84 MEN1 (0.62) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL11543134 0.84 MEN1 (0.58) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL30301439 0.84 MEN1 (0.62) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL22149854 0.83 MEN1 (0.56) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL4314654 0.81 MEN1 (0.58) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL3790084 0.81 MAPK1 (0.62) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL15676236 0.81 MEN1 (0.58) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL9983791 0.79 MAPK1 (0.66) MEN1POLBMAPK1KMT2ALTA4H
SCHEMBL30041284 0.79 MAPK1 (0.66) MEN1POLBMAPK1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 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 (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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 MEN1 2834/4885POLB 3616/4885MAPK1 343/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R MEN1 2435/4885POLB 3012/4885MAPK1 480/4885

“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.