SCHEMBL12737636

SCHEMBL12737636

CCCC1CCC(c2ccc(C(=O)OC3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ CAMKK2 Q96RR4 1/20 0.35
▸ TPH1 P17752 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ SCN9A Q15858 3/20 0.31

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
SCHEMBL12737637 0.94 KDM1A (0.36) KDM1ACYP2C9MAPTALDH1A1LMNA
SCHEMBL12737640 0.93 KDM1A (0.39) KDM1AMAPTCAMKK1CAMKK2TPH1
SCHEMBL12737644 0.92 KDM1A (0.39) KDM1ACYP2C9MAPTCAMKK1CAMKK2
SCHEMBL12737594 0.91 CYP2C9 (0.36) CYP2C9MAPTALDH1A1LMNACAMKK1
SCHEMBL12741056 0.91 CYP2C9 (0.36) CYP2C9MAPTALDH1A1LMNACAMKK1
SCHEMBL12823119 0.90 KDM1A (0.40) KDM1AMAPTCAMKK1CAMKK2TPH1
SCHEMBL12737645 0.90 KDM1A (0.40) KDM1AMAPTALDH1A1CAMKK1CAMKK2
SCHEMBL14766037 0.90 KDM1A (0.40) KDM1AMAPTCAMKK1CAMKK2TPH1
SCHEMBL12737627 0.89 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL12737628 0.89 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1

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 4 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

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 KDM1A 937/4885CYP2C9 2816/4885MAPT 1075/4885

“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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