SCHEMBL7598201

SCHEMBL7598201

CCC(=O)c1ccc(OC(C)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 6/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 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
SCHEMBL11099701 0.82 KMT2A (0.63) ABCB1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7602308 0.80 PPARG (0.56) RAB9ANPC1MAPTKMT2AL3MBTL1
SCHEMBL10883891 0.77 HDAC3 (0.60) SMN1; SMN2RAB9AALDH1A1NPC1KDM4E
SCHEMBL7602706 0.77 PPARG (0.50) SMN1; SMN2RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL6255775 0.77 ABCB1 (0.50) ABCB1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL7598667 0.77 ELANE (0.57) ABCB1RAB9AALDH1A1NPC1KMT2A
SCHEMBL14609920 0.77 ABCB1 (0.47) ABCB1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL2099154 0.75 ABCB1 (0.48) ABCB1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL12130470 0.74 ABCB1 (0.45) ABCB1SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL1962745 0.74 ESR1 (0.59) ABCB1RAB9AALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161007-A1 Non-steroidal modulators of estrogen receptors PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2002-10-31 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-20020161007-A1 Non-steroidal modulators of estrogen receptors ESRRB, ESR2, ESRRG ABCB1 1540/4885SMN1; SMN2 4570/4885RAB9A 4660/4885

“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.