SCHEMBL3869191

SCHEMBL3869191

Clc1cccc(Cl)c1COc1cc[c]cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MET P08581 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL17514795 0.88 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7483584 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6999493 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL697645 0.80 IDO1 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL920476 0.79 NR4A2 (0.57) KMT2AMEN1RAB9A
SCHEMBL17514976 0.78 PTPN1 (0.44) SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL17514625 0.77 MAOB (0.41) SMN1; SMN2KMT2AMEN1KDM4ERAB9A
SCHEMBL30723625 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL14106725 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6333131 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US claimed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US claimed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US claimed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US claimed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US claimed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US claimed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US claimed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP claimed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO claimed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1999067230-A1 INHIBITORS OF α4β1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 1999-12-29 WO disclosed
WO-1999055665-A1 AZINE USED AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 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 (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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A SMN1; SMN2 1708/4885KMT2A 3790/4885MEN1 4444/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A SMN1; SMN2 1708/4885KMT2A 3790/4885MEN1 4444/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 SMN1; SMN2 2102/4885KMT2A 4000/4885MEN1 4739/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 SMN1; SMN2 2102/4885KMT2A 4000/4885MEN1 4739/4885

“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.