SCHEMBL5583266

SCHEMBL5583266

O=C1CCCCCC/C1=C/O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
EGFR P00533 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL1843218 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL2945718 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL5241106 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL1843217 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4105554 0.97
SCHEMBL2225753 0.97
SCHEMBL2225759 0.97
SCHEMBL4299474 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4299469 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4154668 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-4238623-A 5,6-Benzo analogues of prostaglandin MILES LABORATORIES, INC. (US) 1980-12-09 US disclosed
US-4100352-A Cyclohexanone-5,6-benzo analogues of prostaglandin MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4100353-A 5,6-Benza analogues of prostaglandin F MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4100185-A Cyclohexanone 5,6-benzo analogues of prostaglandin E MILES LABORATORIES, INC. (US) 1978-07-11 US disclosed
US-4097516-A 5,6-Benzo analogues of prostaglandin E MILES LABORATORIES, INC. (US) 1978-06-27 US disclosed
US-4096336-A OXYTOCICS, ANTIULCER, BRONCHODILATION, ANTICOAGULANT, HYPOTENSIVE MILES LABORATORIES, INC. (US) 1978-06-20 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 ALDH1A1 1181/4885KDM4E 1419/4885MAPT 4824/4885

“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.