SCHEMBL6437409

SCHEMBL6437409

CCCCC/C=C/c1ccc(C(=O)OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR2 Q92731 1/20 0.50
PPARG P37231 1/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 2/20 0.49
MAOA P21397 1/20 0.49
TSHR P16473 4/20 0.48
TNNC1 P63316 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 2/20 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
SCHEMBL6440310 1.00 ESR1 (0.50) ESR1CA12CA1CA2CA7
SCHEMBL2002880 0.99 TNNC1 (0.49) ESR1CA12CA1CA2CA7
SCHEMBL2002882 0.99 TNNC1 (0.49) ESR1CA12CA1CA2CA7
SCHEMBL6705721 0.89 CA1 (0.54) ESR1CA12CA1CA2CA7
SCHEMBL6705719 0.89 CA1 (0.54) ESR1CA12CA1CA2CA7
SCHEMBL11028147 0.85 ALDH1A1 (0.50) LMNACYP1A2TSHRTNNC1NPC1
SCHEMBL30097911 0.85 ALDH1A1 (0.50) LMNACYP1A2TSHRTNNC1NPC1
SCHEMBL30097789 0.85 ALDH1A1 (0.50) LMNACYP1A2TSHRTNNC1NPC1
SCHEMBL27690321 0.85 ALDH1A1 (0.50) LMNACYP1A2TSHRTNNC1NPC1
SCHEMBL27690323 0.85 ALDH1A1 (0.50) LMNACYP1A2TSHRTNNC1NPC1

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA ESR1 2011/4885CA12 571/4885CA1 204/4885

“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.