Sugi Predict

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SCHEMBL14929520

SCHEMBL14929520

CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2OC(C)(C)C)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ GABRA1 P14867 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL14125007 0.94 ROCK2 (0.33) ROCK2GABRA1GABRB2FAAHCA1
SCHEMBL17036127 0.86 GABRA1 (0.42) GABRA1GABRB2FAAHCA1CA2
SCHEMBL14931037 0.81 HDAC4 (0.39) ROCK2GABRA1GABRB2SOAT2MYC
SCHEMBL14950367 0.80 ROCK2 (0.37) ROCK2GABRA1GABRB2FAAHCA1
SCHEMBL11887267 0.79 GABRA1 (0.42) GABRA1GABRB2CYP1A2SOAT2MYC
SCHEMBL16765785 0.76 HDAC4 (0.45) —
SCHEMBL31547997 0.75 ROCK2 (0.45) ROCK2GABRA1GABRB2FAAHCA1
SCHEMBL30317598 0.74 ROCK2 (0.39) ROCK2GABRA1GABRB2FAAHCA1
SCHEMBL16050486 0.74 FABP3 (0.41) ROCK2GABRA1GABRB2FAAHCA1
SCHEMBL16050488 0.74 GABRA1 (0.52) ROCK2GABRA1GABRB2FAAHCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409938-B2 Tungsten oxo alkylidene complexes for Zselective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-08-09 — — US disclosed
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-01-14 — — US disclosed
US-9085595-B2 Tungsten oxo alkylidene complexes for Z selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-21 — — US disclosed
US-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2013-05-09 — — 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-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 ROCK2 2208/4885GABRA1 4002/4885GABRB2 2945/4885
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 ROCK2 2208/4885GABRA1 4002/4885GABRB2 2945/4885

“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.