SCHEMBL11939341

SCHEMBL11939341

O=C(OC1CCC(c2ccc(-c3ccc(O)c(F)c3F)c(F)c2F)CC1)c1ccc(O)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.38
▸ TYR P14679 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 2/20 0.32
▸ MMP9 P14780 3/20 0.32
▸ MMP12 P39900 3/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ PIN1 Q13526 1/20 0.30
▸ STS P08842 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HSD17B14 Q9BPX1 1/20 0.30

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
SCHEMBL11939070 1.00 SERPINE1 (0.38) SERPINE1TYRKMT2ATP53MMP9
SCHEMBL12224040 0.96 SERPINE1 (0.36) SERPINE1TYRKMT2ATP53
SCHEMBL11939357 0.90 MAPT (0.35) SERPINE1TYRKMT2AMAPT
SCHEMBL11939240 0.90 MAPT (0.35) SERPINE1TYRKMT2AMAPT
SCHEMBL12223556 0.88 MAPT (0.33) SERPINE1MAPT
SCHEMBL12224650 0.87 SERPINE1 (0.32) SERPINE1
SCHEMBL12223929 0.87 SERPINE1 (0.33) SERPINE1TYRTP53
SCHEMBL11939027 0.86 SERPINE1 (0.39) SERPINE1TYRKMT2ATP53PIN1
SCHEMBL11938879 0.86 SERPINE1 (0.39) SERPINE1TYRKMT2ATP53NOTUM
SCHEMBL11939936 0.85 TYR (0.30) TYR

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 SERPINE1 2077/4885TYR 765/4885KMT2A 2912/4885

“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.

Send feedback