SCHEMBL24325564

SCHEMBL24325564

CCC[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.33
LIPA P38571 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
FYN P06241 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL15684073 1.00 CYP1A2 (0.36) CYP1A2CYP2C9LIPALMNAMAPK1
SCHEMBL21725586 1.00 CYP1A2 (0.36) CYP1A2CYP2C9LIPALMNAMAPK1
SCHEMBL9149955 0.98 CYP1A2 (0.34) CYP1A2CYP2C9LIPALMNAMAPK1
SCHEMBL9149947 0.98 CYP1A2 (0.34) CYP1A2CYP2C9LIPALMNAMAPK1
SCHEMBL6058639 0.93 TLR4 (0.36) CYP1A2CYP2C9LIPA
SCHEMBL9151186 0.93 TLR4 (0.36) CYP1A2CYP2C9LIPA
SCHEMBL9151877 0.91 TLR4 (0.35) CYP1A2CYP2C9LIPA
SCHEMBL9151882 0.91 TLR4 (0.35) CYP1A2CYP2C9LIPA
SCHEMBL9767719 0.91 TLR4 (0.35) CYP1A2CYP2C9LIPA
SCHEMBL9147240 0.88

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2022-04-21 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CYP1A2 2272/4885CYP2C9 1982/4885LIPA 2292/4885
US-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 CYP1A2 1654/4885CYP2C9 901/4885LIPA 2882/4885

“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.