SCHEMBL7052561

SCHEMBL7052561

Fc1cc(CCc2ccccc2)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAOA P21397 5/20 0.39
MAOB P27338 4/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL7733392 0.79 HTR2A (0.48) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL11404185 0.78 CYP4A11 (0.40) HTR2AHTR2C
SCHEMBL11401404 0.78 HDAC1 (0.34) HTR2AHTR2CTAAR1
SCHEMBL7050507 0.75 HTR2A (0.44) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL8212198 0.74 TAAR1 (0.60) HTR2AHTR2CCYP2A6SMN1; SMN2TAAR1
SCHEMBL22909371 0.73 HRH1 (0.50) TAAR1ALDH1A1ALOX15HSD17B10
SCHEMBL9485195 0.73 ALDH1A1 (0.52) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL16191048 0.72 HTR2A (0.51) HTR2AHTR2CCYP2A6SMN1; SMN2TAAR1
SCHEMBL6284487 0.72 TAAR1 (0.44) HTR2ATAAR1HTR1AALOX15HSD17B10
SCHEMBL29661802 0.72 TAAR1 (0.30) TAAR1TDP1

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
US-6759558-B2 REDUCTION OF HALOGEN-SUBSTITUTED TEREPHTHALIC ACIDS AND REACTION WITH AN ALKYLATING AGENT, SULFURIC ACID, ALKYL- OR ARYLSULFONIC ACID BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20020156330-A1 Process for preparing halogen-substituted dibenzyl alcohols, these halogen-substituted dibenzyl alcohols and their use LANXESS DEUTSCHLAND GMBH (DE) 2002-10-24 US disclosed
US-4071570-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-3978127-A ANTIARRHYTHMIC MERCK & CO., INC. (US) 1976-08-31 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-20020156330-A1 Process for preparing halogen-substituted dibenzyl alcohols, these halogen-substituted dibenzyl alcohols and their use ADH1A, ADH1C, ADH5 HTR2A 2746/4885HTR2C 3070/4885CYP2A6 39/4885

“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.