SCHEMBL18697661

SCHEMBL18697661

C=C(C)/C=C(/C)C=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29974 0.82
SCHEMBL28592202 0.79
SCHEMBL30335767 0.79 ALDH1A1 (0.44) ALDH1A1TP53TSHR
SCHEMBL28232316 0.79 ALDH1A1 (0.44) ALDH1A1TP53TSHR
SCHEMBL27493378 0.79
SCHEMBL16047115 0.79
SCHEMBL10064890 0.78 ALDH1A1 (0.30) ALDH1A1TP53TSHR
SCHEMBL24254952 0.75 ALDH1A1 (0.35) ALDH1A1TP53TSHR
SCHEMBL20860433 0.75 ALDH1A1 (0.35) ALDH1A1TP53TSHR
SCHEMBL22416875 0.75 TDP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
US-20210191264-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, AND ORGANIC EL DISPLAY AND MANUFACTURING METHOD THEREFOR TORAY INDUSTRIES, INC. (JP) 2021-06-24 US disclosed
EP-3508491-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-09 EP disclosed
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 ALDH1A1 3460/4885TP53 3954/4885TSHR 4037/4885

“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.