SCHEMBL9838705

SCHEMBL9838705

c1ccc(C(CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HRH1 P35367 6/20 0.52
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
CACNA1F O60840 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
CACNA1D Q01668 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
DPP4 P27487 2/20 0.47

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
SCHEMBL24895939 0.84 HTR2A (0.50) HTR2ATAAR1HRH1GRM2GRM3
SCHEMBL9737526 0.82 LMNA (0.48) HTR2ATAAR1HRH1GRM2GRM3
SCHEMBL10622687 0.82 HTR2A (0.55) HTR2ATAAR1HRH1GRM2GRM3
SCHEMBL9493121 0.82 HRH1 (0.54) HTR2ATAAR1HRH1CACNA1FCHRM2
SCHEMBL5572359 0.80 HTR2A (0.46) HTR2ATAAR1HRH1GRM2GRM3
SCHEMBL3864354 0.80 TRPA1 (0.61) HTR2ATAAR1HRH1CACNA1FCHRM2
SCHEMBL21753497 0.80 TSHR (0.50) HTR2ATAAR1HRH1GRM2GRM3
SCHEMBL3290730 0.79 HRH1 (0.68) HTR2ATAAR1HRH1CHRM2CHRM1
SCHEMBL5282418 0.78 GRM2 (0.79) GRM2GRM3
SCHEMBL108142 0.78 CYP2C9 (0.50) HTR2AHRH1CACNA1FCHRM2CHRM1

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-20220190260-A1 ORGANOMETALLIC COMPOUND, COMPOSITION INCLUDING SAME, ORGANIC LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-06-16 US disclosed
EP-3218425-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2017-09-20 EP disclosed
WO-2016077513-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-05-19 WO disclosed
EP-0344165-B1 THERMOSET POLYMERS OF STYRENE TERMINATED TETRAKIS PHENOLS AlliedSignal Inc. (US) 1991-09-25 EP disclosed
US-4728708-A Thermoset polymers of styrene terminated tetrakis phenols ALLIED CORPORATION (US) 1988-03-01 US disclosed
US-RE29697-E Low temperature solventless silicone resins DOW CORNING CORPORATION (US) 1978-07-11 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-20220190260-A1 ORGANOMETALLIC COMPOUND, COMPOSITION INCLUDING SAME, ORGANIC LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS C1S, C1R, CHRM1 HTR2A 3939/4885TAAR1 728/4885HRH1 1958/4885

“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.