SCHEMBL20556964

SCHEMBL20556964

C=C[C@](CCCC)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KIF11 P52732 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CES2 O00748 3/20 0.37
▸ CES1 P23141 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL10483557 1.00 ALDH1A1 (0.47) ALDH1A1TSHRKIF11HTTTDP1
SCHEMBL28024340 0.94 ALDH1A1 (0.45) ALDH1A1TSHRKIF11HTTCES2
SCHEMBL10870213 0.94 ALDH1A1 (0.45) ALDH1A1TSHRKIF11HTTCES2
SCHEMBL20556841 0.83 ALDH1A1 (0.49) ALDH1A1TSHRKIF11HTTL3MBTL1
SCHEMBL11327202 0.83 ALDH1A1 (0.49) ALDH1A1TSHRKIF11HTTL3MBTL1
SCHEMBL3927998 0.75 ALDH1A1 (0.52) ALDH1A1TSHRKIF11HTTTDP1
SCHEMBL2517312 0.74 KIF11 (0.48) ALDH1A1TSHRKIF11HTTTDP1
SCHEMBL27572321 0.74 OPRM1 (0.49) ALDH1A1TSHRKIF11TDP1L3MBTL1
SCHEMBL28003885 0.74 KIF11 (0.48) ALDH1A1TSHRKIF11HTTTDP1
SCHEMBL6478875 0.74 KIF11 (0.48) ALDH1A1TSHRKIF11HTTTDP1

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-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 — — 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-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS ELOVL5, FASN, ACSL5 ALDH1A1 249/4885TSHR 4005/4885KIF11 3703/4885

“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.

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