SCHEMBL13391640

SCHEMBL13391640

CCCOc1c(OC(C)C)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 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
SCHEMBL13320404 0.85 SMN1; SMN2 (0.55) ALOX15TSHRMEN1KMT2ACYP1A2
SCHEMBL13408055 0.84 TSHR (0.51) ALOX15TSHRMEN1KMT2ACYP1A2
SCHEMBL13408057 0.80 KCNK3 (0.42) ALOX15TSHRMEN1KMT2ACYP1A2
SCHEMBL9945946 0.78 MAPK1 (0.49) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL13408056 0.77 L3MBTL1 (0.46) ALOX15TSHRKMT2ACYP1A2CYP3A4
SCHEMBL13453934 0.75 ALDH1A1 (0.44) ALOX15TSHRNPSR1MEN1KMT2A
SCHEMBL2903384 0.75 L3MBTL1 (0.55) NPSR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9525970 0.75 CHRM2 (0.47) ALOX15TSHRNPSR1MEN1KMT2A
SCHEMBL16958174 0.75 NPSR1 (0.37) NPSR1MEN1KMT2AL3MBTL1POLB
SCHEMBL22991422 0.75 TSHR (0.47) ALOX15TSHRCYP1A2CYP3A4L3MBTL1

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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 — — 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 ALOX15 1464/4885TSHR 3165/4885NPSR1 1952/4885

“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.

Send feedback