SCHEMBL19786128

SCHEMBL19786128

CCCCc1ccc(CCOCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 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
SCHEMBL23183624 0.89 LPL (0.39) CA2ALDH1A1HSD17B10KMT2APLK1
SCHEMBL19786365 0.85 SIGMAR1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL21175628 0.84 CA2 (0.52) SMN1; SMN2CA2CA1ALDH1A1HSD17B10
SCHEMBL19771023 0.81 ACACB (0.35) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2608901 0.81 KCNH2 (0.49) HPGD
SCHEMBL2408318 0.79 TAAR1 (0.42) LMNAHTR2A
SCHEMBL23182837 0.79 AOC3 (0.44) HPGDSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL31651134 0.79 ESR1 (0.48) SMN1; SMN2NPC1RAB9ACA2ALDH1A1
SCHEMBL21305393 0.79 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL2608896 0.79 NQO1 (0.48) LMNAMEN1KMT2A

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-9944632-B2 Compounds having estrogen receptor alpha degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2018-04-17 US disclosed
US-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-01-18 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-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ESR2, ESRRB, ESRRA SMN1; SMN2 2369/4885NPC1 186/4885RAB9A 2316/4885

“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.