SCHEMBL17413632

SCHEMBL17413632

C#CC(O)(c1cccc(CN(C)C)c1)c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ PYCR1 P32322 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTR7 P34969 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31

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
SCHEMBL15886177 0.81 IDO1 (0.34) —
SCHEMBL15875002 0.76 CHRM2 (0.37) ALDH1A1TSHRCYP2D6MEN1KMT2A
SCHEMBL4678470 0.69 CYP2C19 (0.52) NOS1ALDH1A1TSHRHPGDHTR7
SCHEMBL18883812 0.68 GABRA1 (0.38) ALDH1A1TSHR
SCHEMBL4243270 0.68 HTR2A (0.56) ALDH1A1TSHRCYP3A4CYP2D6LMNA
Hydrochloric Acid SCHEMBL8390076 0.66 IDO1 (0.54) ALDH1A1TSHRCYP3A4CYP2D6LMNA
SCHEMBL989636 0.66 ALDH1A1 (0.67) NOS1ALDH1A1TSHRHPGDHTR7
SCHEMBL16398676 0.65 ALDH1A1 (0.45) NOS1ALDH1A1TSHRPYCR1HPGD
SCHEMBL31721197 0.65 TSHR (0.48) NOS1ALDH1A1TSHRPYCR1HPGD
SCHEMBL12857 0.63 ALDH1A1 (0.56) NOS1ALDH1A1TSHRHPGDCYP2D6

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-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 — — US disclosed
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 — — US disclosed
WO-2016000242-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2016-01-07 — — WO 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-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION F8, COASY, FADS1 NOS1 3217/4885ALDH1A1 1858/4885TSHR 4178/4885

“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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