SCHEMBL6097252

SCHEMBL6097252

C[C](C)CC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
FFAR1 O14842 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
AOC3 Q16853 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL10439829 0.83 HPGD (0.54) LMNAHPGDGAANPSR1FFAR1
SCHEMBL29137510 0.78 HPGD (0.47) LMNAHPGD
SCHEMBL7383442 0.77 LMNA (0.41) LMNAHPGDGAANPSR1FFAR1
SCHEMBL68253 0.77 FFAR1 (0.58) LMNAHPGDGAANPSR1FFAR1
SCHEMBL12380249 0.75 NPSR1 (0.49) LMNAHPGDGAANPSR1FFAR1
SCHEMBL6974858 0.75 HPGD (0.48) LMNAHPGDGAANPSR1FFAR1
SCHEMBL4918761 0.74 CYP2C19 (0.47) LMNAHPGDGAANPSR1FFAR1
SCHEMBL7383436 0.74 LMNA (0.46) LMNAHPGDGAANPSR1FFAR1
SCHEMBL9217896 0.74 LMNA (0.40) LMNAHPGDGAANPSR1FFAR1
SCHEMBL5451594 0.74 LMNA (0.46) LMNAHPGDGAANPSR1FFAR1

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 6 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-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 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 LMNA 3331/4885HPGD 260/4885GAA 3356/4885

“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.