SCHEMBL4085014

SCHEMBL4085014

C=C(N)CC=C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
CD81 P60033 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 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
SCHEMBL1397863 0.81 CD81 (0.33) CD81PTGS1AKR1C3
SCHEMBL669292 0.81 CD81 (0.33) CD81PTGS1AKR1C3
SCHEMBL444192 0.81 CD81 (0.33) CD81PTGS1AKR1C3
SCHEMBL28998225 0.81 LMNA (0.33) CD81LMNAALOX15BLMPMP22
SCHEMBL304952 0.81 CD81 (0.33) CD81PTGS1AKR1C3
SCHEMBL15017599 0.79 ALOX15 (0.37) CD81ALOX15PTGS1AKR1C3
SCHEMBL212197 0.79 ALOX15 (0.37) CD81ALOX15PTGS1AKR1C3
Methacrylic Acid SCHEMBL30704265 0.77 ALOX15 (0.36) TDP1CD81ALOX15PTGS1AKR1C3
SCHEMBL27672484 0.77 CD81 (0.31) CD81LMNAALOX15BLMPMP22
SCHEMBL2119042 0.77 CD81 (0.34) CD81PTGS1AKR1C3

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-8247500-B2 Guanidine-substituted resin for transesterification ROHM AND HAAS COMPANY (US) 2012-08-21 US disclosed
US-20090221844-A1 Guanidine-substituted resin for transesterification ROHM AND HAAS COMPANY 2009-09-03 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-20090221844-A1 Guanidine-substituted resin for transesterification CES2, ALKBH2, RNGTT TDP1 1206/4885CD81 1410/4885LMNA 1120/4885

“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.