SCHEMBL18006758

SCHEMBL18006758

CCCC1=CCC(C(=O)Oc2ccc(OCC)c(F)c2F)OC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSPO P30536 1/20 0.30
MRGPRX1 Q96LB2 1/20 0.30
CYP1A2 P05177 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
SCHEMBL18006989 0.82 HPGD (0.37) ALDH1A1NPC1HPGDMAPTSMN1; SMN2
SCHEMBL18006802 0.80 HPGD (0.33) ALDH1A1KMT2AFFAR4HPGDKDM4E
SCHEMBL18006870 0.79 CYP2C9 (0.34) ALDH1A1CA1CA2MAPTCYP2C9
SCHEMBL17068607 0.78 LTB4R (0.36) LTB4RLTB4R2HPGD
SCHEMBL18006759 0.78 HTR2A (0.37) ALDH1A1
SCHEMBL18006800 0.78 FFAR4 (0.32) FFAR4MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL18006914 0.76 TOP2A (0.34) ALDH1A1KMT2AFFAR4HPGDKDM4E
SCHEMBL18006934 0.75 L3MBTL1 (0.33) LTB4RLTB4R2CYP1A2CYP2C19
SCHEMBL18006757 0.74 CTSL (0.33)
SCHEMBL18006776 0.74

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-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 US disclosed
US-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, ZKSCAN2, ZRANB2 KCNQ3 2390/4885KCNQ2 2686/4885LTB4R 950/4885

“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.