SCHEMBL6100321

SCHEMBL6100321

[CH2]CCc1ccc(C(F)(F)F)cc1C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.39
POLQ O75417 6/20 0.35
IDO1 P14902 1/20 0.33
CES2 O00748 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE2A O00408 2/20 0.33
AR P10275 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL27991942 0.89 MAPK1 (0.40) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL18241901 0.83 DAO (0.51) DAOPOLQIDO1CES2
SCHEMBL6101647 0.78 TYR (0.39) MEN1ALDH1A1KMT2ACYP3A4
SCHEMBL23661917 0.76 CES2 (0.43) DAOPOLQCES2MEN1ALDH1A1
SCHEMBL677114 0.75 MAPK1 (0.42) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL21534433 0.75 KIF11 (0.40) POLQCES2MEN1ALDH1A1MAPK1
SCHEMBL18768786 0.75 PDE2A (0.44) POLQIDO1CES2MEN1ALDH1A1
SCHEMBL18242683 0.73 DAO (0.49) DAOPOLQIDO1CES2
SCHEMBL20125681 0.73 MAPT (0.38) POLQCES2MEN1ALDH1A1MAPK1
SCHEMBL13349970 0.73 DAO (0.51) DAOPOLQIDO1CES2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984639-B2 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. (US) 2006-01-10 US disclosed
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2005-03-17 US disclosed
US-6417209-B2 NON-IMMUNOSUPPRESSIVE, PIPERIDINO OR PYRROLIDINO AMIDE DERIVATIVE HAS AN AFFINITY FOR AN FKBP-TYPE IMMUNOPHILIN, USEFUL FOR TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS GPI NIL HOLDINGS, INC. 2002-07-09 US disclosed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 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-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 DAO 1381/4885POLQ 3405/4885IDO1 1310/4885

“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.