SCHEMBL19499088

SCHEMBL19499088

Cn1ccc2cc(C(C)(C)C)cc(C(C)(C)C)c21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
HSP90AA1 P07900 1/20 0.32
PRKCI P41743 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1I2 O75469 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL16626051 0.83 POLB (0.38) KCNH2PRKCITSHRGABRA1GABRB2
SCHEMBL18876125 0.80 KCNH2 (0.40) KCNH2PRKCI
SCHEMBL18876179 0.80 GRM2 (0.35) KCNH2HSP90AA1PRKCICYP2C19
SCHEMBL1359850 0.80 PTGDR2 (0.33) PRKCI
SCHEMBL18746328 0.74 SMN1; SMN2 (0.50) LMNATSHR
SCHEMBL11916148 0.73 CA2 (0.40) TSHRGABRA1GABRB2
SCHEMBL24655982 0.73 PRKCI (0.40) KCNH2PRKCICYP1A2CYP3A4TSHR
SCHEMBL2627061 0.69 PRKCI (0.55) KCNH2PRKCI
SCHEMBL14506379 0.67 PRKCI (0.47) KCNH2PRKCI
SCHEMBL12755272 0.67 CDK4 (0.31)

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-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 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-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 KCNH2 4630/4885HSP90AA1 1067/4885PRKCI 1651/4885

“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.