SCHEMBL27440643

SCHEMBL27440643

CC(C)(C)C1=CCc2cccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.34
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL27440639 0.78 ADRA2A (0.33) NOS3
SCHEMBL17307151 0.70 CA2 (0.38)
SCHEMBL17460765 0.69
SCHEMBL3680298 0.68 HTR6 (0.37)
SCHEMBL27973813 0.68 SRD5A1 (0.52) SRD5A1NOS3NOS2
SCHEMBL27963635 0.67 HTR6 (0.36)
SCHEMBL27440641 0.63 ACHE (0.39) SRD5A1NOS3KCNH2TMEM97SIGMAR1
SCHEMBL27441649 0.63 CYP3A4 (0.36) SRD5A1NOS3NOS2KCNH2TMEM97
SCHEMBL79047 0.61 ACHE (0.39) KCNH2
SCHEMBL1623884 0.60 TTR (0.47)

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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 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 (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-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 SRD5A1 4651/4885NOS3 3501/4885NOS2 2487/4885

“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.