SCHEMBL11327202

SCHEMBL11327202

C=CC(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 2/20 0.42
▸ CYP2C19 P33261 3/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL20556841 1.00 ALDH1A1 (0.49) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL21119239 0.86 HTT (0.51) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL7262260 0.83 ALDH1A1 (0.42) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL21119238 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL20556964 0.83 ALDH1A1 (0.47) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL10483557 0.83 ALDH1A1 (0.47) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL27872022 0.81 ALDH1A1 (0.41) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL10870213 0.80 ALDH1A1 (0.45) ALDH1A1TSHRHTTKIF11
SCHEMBL28024340 0.80 ALDH1A1 (0.45) ALDH1A1TSHRHTTKIF11
SCHEMBL21119234 0.79 ALDH1A1 (0.42) ALDH1A1TSHRHTTCYP2C19HIF1A

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-20180327343-A1 COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-11-15 — — US disclosed
US-4294905-A DIAZO COMPOUNDS, OLEOPHILIC AND STORAGE STABLE FUJI PHOTO FILM CO., LTD. (JP) 1981-10-13 — — 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 4005/4885HTT 4597/4885

“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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