SCHEMBL12786451

SCHEMBL12786451

C=C/C(=C/C)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.37
CYP2A6 P11509 1/20 0.36
PTGS1 P23219 1/20 0.36
BCL2L1 Q07817 1/20 0.36
SRD5A2 P31213 1/20 0.35

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
SCHEMBL21689751 1.00 CES2 (0.41) CES2CES1TSHRMAPK1ALOX15
SCHEMBL18789917 0.88 ALDH5A1 (0.37) MAPK1ALOX15CYP3A4CYP1A2MAPT
SCHEMBL20848294 0.79 PTGS1 (0.36) CES2CES1TSHRMAPK1ALOX15
SCHEMBL7500354 0.79 ALDH1A1 (0.43) CES2CES1ATMMAPTHPGD
SCHEMBL21880243 0.79 ALDH1A1 (0.43) CES2CES1ATMMAPTHPGD
SCHEMBL7500360 0.79 ALDH1A1 (0.43) CES2CES1ATMMAPTHPGD
SCHEMBL9682609 0.77 CES2 (0.46) CES2CES1TSHRMAPK1ALOX15
SCHEMBL19301051 0.77 CES2 (0.41) CES2CES1CA1CA2CYP1A2
SCHEMBL19071788 0.77 CES2 (0.46) CES2CES1TSHRMAPK1ALOX15
SCHEMBL9682602 0.77 CES2 (0.46) CES2CES1TSHRMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765961-B2 Near infrared fluorescent imaging agent FUJIFILM CORPORATION (JP) 2014-07-01 US disclosed
US-20110054181-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 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-20110054181-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, RXFP1, IK CES2 649/4885CES1 992/4885TSHR 418/4885

“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.