SCHEMBL1573174

SCHEMBL1573174

CCCCCCCCC1CC1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NOS1 P29475 3/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ FUCA1 P04066 9/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ GBA1 P04062 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
SCHEMBL4557504 1.00 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL1437889 1.00 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL176362 0.97 — —
SCHEMBL31274418 0.89 — —
SCHEMBL5147443 0.89 — —
SCHEMBL24951394 0.89 ALOX5 (0.47) ALOX5ALDH1A1EPHX1TSHRTHRB
Bicarbonate SCHEMBL11801812 0.89 ALOX5 (0.61) ALOX5ALDH1A1TSHR
SCHEMBL19302096 0.87 ALOX5 (0.42) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL19302125 0.87 ALOX5 (0.42) ALOX5ALDH1A1EPHX1TSHRTHRB
Ammonia Solution, Strong SCHEMBL20492536 0.86 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065079-A1 FATTY ACID DERIVATIVE LABELED WITH POSITRON-EMITTING RADIONUCLIDE ASTELLAS PHARMA INC. (JP) 2023-03-02 — — US disclosed
WO-2013116126-A1 NOVEL LOW MOLECULAR WEIGHT, BIODEGRADABLE CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY MERCK SHARP & DOHME CORP. (US) 2013-08-08 — — WO disclosed
EP-1846111-B1 DECONTAMINANT BATTELLE MEMORIAL INSTITUTE (US) 2011-04-13 — — 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-20230065079-A1 FATTY ACID DERIVATIVE LABELED WITH POSITRON-EMITTING RADIONUCLIDE FABP3, SLC27A1, FASN ALOX5 187/4885ALDH1A1 276/4885EPHX1 2116/4885

“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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