SCHEMBL24370183

SCHEMBL24370183

C=CCCOC(=O)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 5/20 0.50
TSHR P16473 7/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL30901585 0.88 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL29220387 0.88 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRMEN1KMT2A
Propene SCHEMBL17797847 0.87 TSHR (0.56) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL17797782 0.84 TSHR (0.66) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL8238432 0.83 CYP3A4 (0.77) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL15946442 0.83 THRB (0.54) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL29220389 0.82 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL2908713 0.81 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL14984028 0.81 TSHR (0.68) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL29860709 0.81 TSHR (0.65) CYP3A4ALDH1A1TSHRMEN1KMT2A

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-20220127228-A1 METHOD FOR PRODUCING DICHLORO ADDITION PRODUCT OF ALIPHATIC OLEFIN BY PHOTOCATALYSIS UNDER VISIBLE LIGHT SOOCHOW UNIVERSITY (CN) 2022-04-28 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-20220127228-A1 METHOD FOR PRODUCING DICHLORO ADDITION PRODUCT OF ALIPHATIC OLEFIN BY PHOTOCATALYSIS UNDER VISIBLE LIGHT AOC1, AOC2, AOC3 CYP3A4 103/4885ALDH1A1 31/4885TSHR 4420/4885

“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.