SCHEMBL12032007

SCHEMBL12032007

CCCC1CCC(C2CCC(c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A3 Q01959 1/20 0.43
LSS P48449 1/20 0.38
IDO1 P14902 1/20 0.37
ESR2 Q92731 2/20 0.37
SLC2A1 P11166 1/20 0.37
TLR4 O00206 1/20 0.36
HTR3A P46098 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6454759 0.94 DRD2 (0.45) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6451898 0.94 DRD2 (0.45) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6451902 0.94 DRD2 (0.45) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8398929 0.92 CYP2C9 (0.55) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7510559 0.92 CYP2C9 (0.55) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8398937 0.92 CYP2C9 (0.55) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6452414 0.90 DRD2 (0.42) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6452419 0.90 DRD2 (0.42) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6453010 0.90 CYP2C9 (0.47) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6453002 0.90 CYP2C9 (0.47) DRD2CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 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-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CTNND1, HCN1, CTNNA1 DRD2 296/4885CYP2C9 2588/4885ALDH1A1 884/4885

“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.