SCHEMBL4885478

SCHEMBL4885478

C=CC(F)[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.35
CYP2A6 P11509 1/20 0.35
NFE2L2 Q16236 4/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 1/20 0.30
MAOA P21397 1/20 0.30
TRPA1 O75762 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8979266 0.77 ALDH1A1 (0.42) ALDH1A1TSHRMAOBNFE2L2LMNA
SCHEMBL184701 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAOBCYP2A6NFE2L2
SCHEMBL7038776 0.71 ALDH1A1 (0.52) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL8203826 0.70 HTR2A (0.39) ALDH1A1TSHRMAOBCYP2A6NFE2L2
SCHEMBL6541276 0.70 ALDH1A1 (0.44) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL3245737 0.68 CYP1A2 (0.36) ALDH1A1TSHRMAOBCYP2A6NFE2L2
Styrene SCHEMBL28863342 0.68 ALDH1A1 (0.70) ALDH1A1TSHRMAOBCYP2A6NFE2L2
SCHEMBL2400328 0.68 HTR2A (0.38) ALDH1A1TSHRMAOBCYP2A6NFE2L2
SCHEMBL9804450 0.65 ALDH1A1 (0.43) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL6048471 0.65 ALDH1A1 (0.43) ALDH1A1TSHRMAOBCYP2A6LMNA

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-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 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-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 ALDH1A1 669/4885TSHR 1513/4885MAOB 119/4885

“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.