SCHEMBL4900665

SCHEMBL4900665

C=CC(F)c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
ESR2 Q92731 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 2/20 0.30
AR P10275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3974692 0.77 TSHR (0.44) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL15112641 0.77 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL27727832 0.77 L3MBTL1 (0.38) TSHRALDH1A1L3MBTL1CA1CA2
Hydrochloric Acid SCHEMBL3640150 0.75 TSHR (0.43) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL15321936 0.75 KDM4E (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL15320508 0.75 VCAM1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27870312 0.74 TSHR (0.41) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL4078370 0.72 TSHR (0.48) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL16951161 0.72 NOTUM (0.35) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL16959029 0.72 AR (0.36) ALDH1A1L3MBTL1ARKDM4E

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 TSHR 1513/4885ALDH1A1 669/4885L3MBTL1 2718/4885

“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.