SCHEMBL3205913

SCHEMBL3205913

CC(C)c1ccc(CCCCC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
IDO1 P14902 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
FKBP1A P62942 1/20 0.38
UCHL3 P15374 2/20 0.38
USP5 P45974 1/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL3249124 0.94 TYR (0.45) TYRRAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL933030 0.86 TYR (0.48) TYRRAB9ANPC1SMN1; SMN2IDO1
SCHEMBL869709 0.86 TYR (0.48) TYRRAB9ANPC1SMN1; SMN2IDO1
Propionaldehyde SCHEMBL4619414 0.81 TYR (0.44) TYRRAB9ANPC1SMN1; SMN2IDO1
SCHEMBL6567210 0.81 GPR84 (0.42) LMNAALDH1A1HTR2AEPHX1
SCHEMBL1611282 0.81 IDO1 (0.40) TYRRAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL19043222 0.80 LMNA (0.37) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL1610696 0.80 IDO1 (0.39) TYRRAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL1611347 0.80 IDO1 (0.39) TYRRAB9ANPC1SMN1; SMN2S1PR1
SCHEMBL5543511 0.79 HDAC3 (0.49) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 US disclosed
US-7678752-B2 Fabric care composition comprising organosilicone microemulsion and anionic/nitrogen-containing surfactant system THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
EP-1313828-B2 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2009-10-14 EP disclosed
US-7384903-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2008-06-10 US disclosed
US-20070225198-A1 Fabric care compositions and systems comprising organosilicone microemulsions and methods employing same PROCTER & GAMBLE COMPANY, THE 2007-09-27 US disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
EP-1313828-B1 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2006-10-11 EP disclosed
US-6903061-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2005-06-07 US disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20020103094-A1 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY 2002-08-01 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (3 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TYR 3654/4885RAB9A 1240/4885NPC1 290/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TYR 3647/4885RAB9A 1825/4885NPC1 2978/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TYR 3654/4885RAB9A 1240/4885NPC1 290/4885

“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.