SCHEMBL4178282

SCHEMBL4178282

O=C(O)CCC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 5/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18269655 1.00 ALDH1A1 (0.53) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2482829 0.94 ALDH1A1 (0.59) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL985927 0.94 ALDH1A1 (0.59) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL16060069 0.94 ALDH1A1 (0.59) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL31356503 0.87
SCHEMBL1916142 0.87 ALDH1A1 (0.49) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2398393 0.87 ALDH1A1 (0.49) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL2398531 0.87 ALDH1A1 (0.49) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL28992188 0.85 TP53 (0.49) ALDH1A1LMNAPOLBUSP2SMN1; SMN2
SCHEMBL12602871 0.84 TP53 (0.47) ALDH1A1LMNAPOLBUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089788-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-10-24 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 EP disclosed
US-7012083-B2 Compounds useful in therapy PFIZER INC. (US) 2006-03-14 US disclosed
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
US-6518282-B1 Treatment of pruritic dermatoses including allergic dermatitis and atopy in animals and humans PFIZER INC. 2003-02-11 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
US-20020099214-A1 Compounds useful in therapy PFIZER INC. (US) 2002-07-25 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
EP-1072594-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1072595-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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 (4 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-20020099214-A1 Compounds useful in therapy HRH2, ITCH, HRH4 ALDH1A1 306/4885LMNA 4012/4885POLB 1964/4885
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 ALDH1A1 895/4885LMNA 4687/4885POLB 4250/4885
US-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 ALDH1A1 2211/4885LMNA 3843/4885POLB 3438/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 ALDH1A1 857/4885LMNA 4133/4885POLB 4497/4885

“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.