SCHEMBL2874844

SCHEMBL2874844

Fc1cccc(C2CCC3(CC2)OC=CO3)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
SCD5 Q86SK9 3/20 0.38
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MLYCD O95822 1/20 0.36
PARP10 Q53GL7 1/20 0.36
LIPE Q05469 1/20 0.36
DRD4 P21917 1/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL731682 0.84 ALDH1A1 (0.39) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL1515236 0.78 HTR2C (0.47) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL29878889 0.78 HTR2C (0.47) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL7028648 0.76 NPC1 (0.36) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL7032739 0.76 NPC1 (0.36) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL30704252 0.75 HDAC4 (0.52) TAAR1SCD5KDM1ARCOR1HTR2A
SCHEMBL777204 0.75 HDAC4 (0.52) TAAR1SCD5KDM1ARCOR1HTR2A
SCHEMBL353609 0.75 HDAC4 (0.47) TAAR1SCD5KDM1ARCOR1ALDH1A1
SCHEMBL30142572 0.74 TAAR1 (0.42) TAAR1SCD5KDM1ARCOR1HTR2A
SCHEMBL26511373 0.74 TAAR1 (0.42) TAAR1SCD5KDM1ARCOR1HTR2A

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
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 TAAR1 2676/4885SCD5 733/4885KDM1A 2117/4885

“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.