SCHEMBL1509709

SCHEMBL1509709

OCCCCCCOc1ccc(C2CCC(OCCCCCCO)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.45
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 4/20 0.45
RAB9A P51151 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL1509710 1.00 HRH3 (0.45) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2720561 0.91 HRH3 (0.51) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2721397 0.91 HRH3 (0.51) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2719574 0.91 HRH3 (0.51) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL2717763 0.89 HRH3 (0.52) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL1531796 0.87 ESR2 (0.51) KCNH2CYP3A4CYP2C9
SCHEMBL1531798 0.87 ESR2 (0.51) KCNH2CYP3A4CYP2C9
SCHEMBL12216962 0.86 HRH3 (0.45) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL1509691 0.85 HRH3 (0.60) HRH3KCNH2CYP3A4CYP2C9RAB9A
SCHEMBL1509692 0.85 HRH3 (0.60) HRH3KCNH2CYP3A4CYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039064-B2 Compound, polymerizable liquid crystal composition, optical element and optical information writing/reading device ASAHI GLASS COMPANY, LIMITED (JP) 2011-10-18 US disclosed
US-20110063966-A1 COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2011-03-17 US disclosed
EP-2295396-A1 COMPOUND, POLYMERIZABLE LIQUID CRYSTALLINE COMPOSITION, OPTICAL ELEMENT, AND OPTICAL INFORMATION RECORDING/REPRODUCTION DEVICE Asahi Glass Company, Limited (JP) 2011-03-16 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-20110063966-A1 COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE CRY2, NOXO1, CIT HRH3 219/4885KCNH2 562/4885CYP3A4 536/4885

“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.