SCHEMBL9196159

SCHEMBL9196159

C#CC(C)(C)Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
ELANE P08246 1/20 0.40
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.35
TEAD4 Q15561 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RELA Q04206 1/20 0.33
BCHE P06276 1/20 0.31
AR P10275 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL2008822 0.83 ELANE (0.56) ACHEELANETSHRCYP3A4TDP1
SCHEMBL8803204 0.81 ELANE (0.42) ELANETSHRCYP3A4TDP1ALDH1A1
SCHEMBL21408547 0.81 MEN1 (0.48) ELANETSHRCYP3A4ALDH1A1MEN1
SCHEMBL7843630 0.81 ELANE (0.39) ELANEALDH1A1MAPTMEN1KMT2A
SCHEMBL9581834 0.81 MAPT (0.44) ELANETSHRTDP1ALDH1A1POLB
SCHEMBL17186898 0.81 PPARA (0.48) ACHEELANETSHRCYP3A4TDP1
SCHEMBL8901912 0.81 ELANE (0.39) ELANECA1CA2CA9
SCHEMBL18405594 0.80 CA4 (0.39) ELANETSHRCYP3A4ALDH1A1MAPT
SCHEMBL7768141 0.78 CA1 (0.39) ELANECA1CA2CA9PPARD
SCHEMBL6948975 0.78 KIF11 (0.41) ELANEALDH1A1POLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789598-A 3-alkenyl isoquinoline 2-oxide compound and preparation method thereof 广州大学 2023-09-22 CN disclosed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
EP-0389861-B1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP disclosed
US-5104890-A Potassium channel activtors; vasodilators FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-04-14 US disclosed
EP-0389861-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-03 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-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC ACHE 1757/4885ELANE 3377/4885TSHR 261/4885

“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.