SCHEMBL18023974

SCHEMBL18023974

COc1cc(-c2cncc(C)n2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.51
S1PR1 P21453 11/20 0.49
KMO O15229 1/20 0.48
CYP11B2 P19099 2/20 0.48
CYP11B1 P15538 1/20 0.48
DHFR P00374 1/20 0.48
KDM1A O60341 1/20 0.46
S1PR3 Q99500 1/20 0.43
PFKFB3 Q16875 2/20 0.40

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
SCHEMBL16419560 0.77 CYP11B2 (0.50) KMOCYP11B2CYP11B1
SCHEMBL3346194 0.77 CYP11B1 (0.50) CYP11B2CYP11B1
SCHEMBL27451301 0.76 CHEK1 (0.59) FYNCYP11B2CYP11B1
SCHEMBL9440147 0.74 ALDH1A1 (0.56) S1PR1KMODHFRKDM1AS1PR3
SCHEMBL25524170 0.73 ALDH1A1 (0.53) FYNCYP11B2CYP11B1
SCHEMBL12104619 0.73 PFKFB3 (0.61) PFKFB3
SCHEMBL17117158 0.72 ALDH1A1 (0.54) S1PR1KMODHFRKDM1AS1PR3
SCHEMBL23600958 0.72 CYP19A1 (0.51) FYNCYP11B2CYP11B1
SCHEMBL17463151 0.71 CYP11B1 (0.51) CYP11B2CYP11B1
SCHEMBL18850044 0.71 CYP11B1 (0.50) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235742-A1 SPRAY DRY FORMULATIONS GILEAD SCIENCES, INC. 2016-08-18 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-20160235742-A1 SPRAY DRY FORMULATIONS FLT1, KDR, ERBB2 FYN 32/4885S1PR1 240/4885KMO 3068/4885

“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.