SCHEMBL15836699

SCHEMBL15836699

Cc1cc2oc(=O)cc(CN3CCN(CCO)CC3)c2cc1C

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.74
ALDH1A1 P00352 9/20 0.72
HPGD P15428 6/20 0.72
CASP1 P29466 3/20 0.72
CASP7 P55210 3/20 0.72
HSD17B10 Q99714 3/20 0.72
KDM4E B2RXH2 6/20 0.70
POLB P06746 5/20 0.70
TSHR P16473 6/20 0.70
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.68
NPSR1 Q6W5P4 2/20 0.67
USP2 O75604 1/20 0.61
GAA P10253 4/20 0.61
GLA P06280 3/20 0.61
P4HB P07237 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
RECQL P46063 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL15836701 0.81 ALDH1A1 (1.00) RAB9AALDH1A1HPGDCASP1CASP7
SCHEMBL28167086 0.73 TDP1 (0.68) RAB9AALDH1A1HPGDCASP1CASP7
Folescutol SCHEMBL554577 0.69 TDP1 (0.81) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL11416864 0.69 AKR1B1 (0.69) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL19002490 0.68 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL15836637 0.68 KMT2A (1.00) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL10631282 0.68 KDM4E (0.66) RAB9AALDH1A1HPGDCASP1CASP7
SCHEMBL19354132 0.68 KDM4E (0.51) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL13713842 0.68 RAB9A (0.49) RAB9AALDH1A1HPGDCASP1CASP7
SCHEMBL24160929 0.67 KDM4E (0.54) ALDH1A1HPGDHSD17B10KDM4EPOLB

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 RAB9A 2629/4885ALDH1A1 4348/4885HPGD 3480/4885

“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.