SCHEMBL12737591

SCHEMBL12737591

CCC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(OC)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ PIN1 Q13526 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ PTGIR P43119 1/20 0.32

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
SCHEMBL12741053 1.00 USP30 (0.39) USP30CYP19A1MEN1KMT2ANAAA
SCHEMBL12737593 0.91 CYP19A1 (0.38) USP30CYP19A1MEN1KMT2AMAPT
SCHEMBL12741060 0.91 USP30 (0.39) USP30MEN1KMT2ANAAAPIN1
SCHEMBL12741055 0.91 CYP19A1 (0.38) USP30CYP19A1MEN1KMT2AMAPT
SCHEMBL12737599 0.91 USP30 (0.39) USP30MEN1KMT2ANAAAPIN1
SCHEMBL12737634 0.90 NAAA (0.39) USP30CYP19A1MEN1KMT2ANAAA
SCHEMBL12741054 0.89 USP30 (0.36) USP30MEN1KMT2ANAAAPDE5A
SCHEMBL12737592 0.89 USP30 (0.36) USP30MEN1KMT2ANAAAPDE5A
SCHEMBL12823914 0.89 NAAA (0.38) USP30MEN1KMT2ANAAAPIN1
SCHEMBL12823449 0.89 NAAA (0.38) USP30MEN1KMT2ANAAAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 USP30 3638/4885CYP19A1 1358/4885MEN1 2496/4885

“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.

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