SCHEMBL18170291

SCHEMBL18170291

O=C(Cc1ccc(F)cc1Cl)c1ccc(OC2CCCCO2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.37
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL16341669 0.85 LMNA (0.54) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL29574775 0.83 HPGD (0.43) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL22925090 0.83 HPGD (0.43) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL1940843 0.80 HPGD (0.49) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL12930769 0.79 ESR1 (0.52) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL18179373 0.79 HPGD (0.42) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL18259620 0.79 CHRNA7 (0.39) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL18170299 0.79 NPC1 (0.44) RAB9ANPC1LMNASMN1; SMN2HTT
SCHEMBL27212155 0.77 KMT2A (0.38) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL17838454 0.77 PIK3CA (0.43) RAB9ANPC1LMNASMN1; SMN2KMT2A

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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016174551-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-11-03 WO disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 P2RX4 1669/4885RAB9A 386/4885NPC1 1649/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 P2RX4 1669/4885RAB9A 386/4885NPC1 1649/4885

“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.