SCHEMBL22272579

SCHEMBL22272579

CCC(C)n1ccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.43
IDH2 P48735 1/20 0.43
ACHE P22303 3/20 0.39
PRMT6 Q96LA8 1/20 0.38
LMNA P02545 1/20 0.33
CCR1 P32246 1/20 0.33
CASR P41180 1/20 0.33
MAPT P10636 3/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 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
SCHEMBL950045 0.81 IDH1 (0.39) IDH1IDH2ACHEPRMT6LMNA
SCHEMBL21166123 0.78 IDH1 (0.38) IDH1IDH2PRMT6MAPTKMT2A
SCHEMBL19608565 0.78 IDH1 (0.38) IDH1IDH2PRMT6MAPTKMT2A
SCHEMBL14487840 0.76 IDH1 (0.39) IDH1IDH2PRMT6LMNACCR1
SCHEMBL2766707 0.75 IDH1 (0.38) IDH1IDH2PRMT6MAPTNPC1
SCHEMBL17070039 0.74 IDH1 (0.38) IDH1IDH2PRMT6LMNACASR
SCHEMBL20674846 0.74 PRMT6 (0.31) IDH1IDH2PRMT6
SCHEMBL14487777 0.72 KDM4E (0.41) IDH1IDH2PRMT6LMNACCR1
SCHEMBL24253420 0.72 IDH1 (0.36) IDH1IDH2PRMT6LMNAMAPT
SCHEMBL22867118 0.72 ACHE (0.36) ACHELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267801-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2022-03-08 US disclosed
US-20210171498-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-06-10 US disclosed
WO-2020151589-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2020-07-30 WO 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-11267801-B2 Therapeutic compounds NPC1, CCR5, FURIN IDH1 743/4885IDH2 1156/4885ACHE 2561/4885
US-20210171498-A1 THERAPEUTIC COMPOUNDS NPC1, CCR5, FURIN IDH1 743/4885IDH2 1156/4885ACHE 2561/4885

“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.