SCHEMBL22360314

SCHEMBL22360314

COc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
ALDH1A1 P00352 3/20 0.48
PTGS2 P35354 3/20 0.47
TNFRSF1A P19438 2/20 0.46
PTGS1 P23219 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.40
DHFR P00374 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2C P18825 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
SCHEMBL6672713 0.91 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL15180056 0.87 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL5090250 0.87 CA2 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL15180064 0.87 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL9587049 0.82 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL4879495 0.82 CA1 (0.45) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL4437362 0.82 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL1512024 0.82 CA1 (0.55) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL15180049 0.82 CA1 (0.50) CA1CA2ALDH1A1PTGS2TNFRSF1A
SCHEMBL30925599 0.82 CA1 (0.46) CA1CA2ALDH1A1PTGS2TNFRSF1A

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-11077433-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2021-08-03 US disclosed
US-20200261898-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2020-08-20 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 (2 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-20200261898-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS SREBF1, F2, SREBF2 CA1 3693/4885CA2 4484/4885ALDH1A1 1913/4885
US-11077433-B2 Production of fatty olefin derivatives via olefin metathesis SREBF1, F2, SREBF2 CA1 3693/4885CA2 4484/4885ALDH1A1 1913/4885

“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.