SCHEMBL3851983

SCHEMBL3851983

[C]#Cc1cccc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL1800821 0.84 TSHR (0.53) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL30444713 0.82 MRGPRX4 (0.56) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL30444179 0.82 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL60040 0.82 MRGPRX4 (0.56) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL166803 0.82 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL16618914 0.82 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL10411912 0.82 ALDH1A1 (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL13069141 0.82 TSHR (0.52) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL1926585 0.81 TSHR (0.60) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL4672150 0.81 ALDH1A1 (0.51) TSHRLOXL2CYP4F2CYP4A11RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES, LTD. (JP) 2009-09-17 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-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX CCRL2, CCNL2, ATXN2L TSHR 3248/4885LOXL2 36/4885CYP4F2 1844/4885

“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.