SCHEMBL21180302

SCHEMBL21180302

CCC1(C)C(C)CCC(=O)C1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
PTPN1 P18031 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
SCHEMBL17172433 0.74 CA1 (0.34) MAPTCA1CA2CA4PTPN1
SCHEMBL13588527 0.65 DHODH (0.40) DHODH
SCHEMBL12586186 0.65 DHODH (0.40) DHODH
SCHEMBL7825318 0.65 DHODH (0.31) DHODH
SCHEMBL23255527 0.64
SCHEMBL20269335 0.64
SCHEMBL7751403 0.63 TLR4 (0.36) MAPT
SCHEMBL7751451 0.63 CYP3A4 (0.35) MAPTCA1CA2CA4PTPN1
SCHEMBL24483544 0.62 ALDH1A1 (0.31) MAPT
SCHEMBL4581819 0.61 CYP3A4 (0.33) MAPTCA1CA2CA4

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-10377733-B1 Antimicrobials from an epigenetics based fungal metabolite screening program UNIVERSITY OF SOUTH FLORIDA (US) 2019-08-13 US disclosed
US-10358431-B1 Antimicrobials from an epigenetics based fungal metabolite screening program UNIVERSITY OF SOUTH FLORIDA (US) 2019-07-23 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-10358431-B1 Antimicrobials from an epigenetics based fungal metabolite screening program HDAC7, HDAC9, HDAC4 DHODH 302/4885FNTA 2796/4885FNTB 363/4885
US-10377733-B1 Antimicrobials from an epigenetics based fungal metabolite screening program HDAC7, HDAC9, HDAC4 DHODH 302/4885FNTA 2796/4885FNTB 363/4885

“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.