SCHEMBL8005653

SCHEMBL8005653

CC1(c2ccccc2Cl)OCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRM1 P35372 1/20 0.37
CACNA1C Q13936 1/20 0.37
TSHR P16473 2/20 0.36
HDAC4 P56524 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AKR1C3 P42330 1/20 0.35
PGR P06401 1/20 0.33

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
SCHEMBL12681587 0.77 TSHR (0.38) OPRK1OPRM1TSHRHDAC4ALDH1A1
SCHEMBL2662444 0.76 SLC6A4 (0.41) SLC6A4LMNATSHRALDH1A1
SCHEMBL31561698 0.75 TSHR (0.33) LMNATSHRALDH1A1
SCHEMBL3203338 0.75 HTR2A (0.35) LMNATSHRALDH1A1
SCHEMBL8790549 0.75 CYP3A4 (0.36) TAAR1LMNATSHRALDH1A1
SCHEMBL3203818 0.75 TSHR (0.33) LMNATSHRALDH1A1
SCHEMBL4482310 0.75 HCAR2 (0.38) TSHRHDAC4ALDH1A1PGR
SCHEMBL8790706 0.75 PBRM1 (0.40) TAAR1SLC6A4LMNAOPRM1TSHR
SCHEMBL8790711 0.75 PBRM1 (0.40) TAAR1SLC6A4LMNAOPRM1TSHR
SCHEMBL10829203 0.73 TSHR (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910744-B2 Pyrazole and Pyrimidine groups are introduced on aromatic phosphine; (3-bromophenyl)methyl ketone and ethylene glycol cyclize to [3-(2-methyl-1,3-dioxolane-2-yl)phenyl]diphenylphosphane; adding hydrazine monohydrate, then oxidizing with hydrogen peroxide; [3-(3-Pyrazolyl)phenyl]diphenylphosphane oxide ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENT II KG (DE) 2011-03-22 US disclosed
US-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-03-26 US disclosed
US-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-03-26 US disclosed
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2008-09-11 US disclosed
WO-2000008032-A1 CATALYST LIGANDS USEFUL FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-02-17 WO 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 (2 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-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES DDT, API5, MSL1 TAAR1 1251/4885CRHBP 2580/4885CRHR2 4446/4885
US-20080221335-A1 Method for the Manufacture of Substituted Phosphanes, and Substituted Phosphanes Manufactured According to Said Method SCLY, SELENOI, TST TAAR1 754/4885CRHBP 4233/4885CRHR2 4659/4885

“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.