SCHEMBL1605965

SCHEMBL1605965

Clc1ccc2cc(-c3cccc(OCc4ccccc4)c3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDC7 O00311 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
ALOX5 P09917 1/20 0.44
HPGD P15428 2/20 0.44
DHODH Q02127 1/20 0.43
MAOB P27338 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1605929 0.85 RAB9A (0.44) BACE1RAB9AALDH1A1LMNAKDM4E
SCHEMBL4890810 0.83 ALOX5 (0.57) RAB9AALDH1A1KDM4EMEN1NPC1
SCHEMBL10413632 0.78 KMT2A (0.74) RAB9AALDH1A1LMNAKDM4EMEN1
SCHEMBL12330535 0.77 CDC7 (0.54) MAPTCYP19A1CDC7DHODH
SCHEMBL14115584 0.76 NR1H2 (0.47) BACE1ALDH1A1KMT2ACDC7HPGD
SCHEMBL4890578 0.75 KDM4E (0.64) RAB9AALDH1A1LMNAKDM4EMEN1
SCHEMBL28999626 0.74 NR4A2 (0.61) BACE1MAOBRXRARXRBRXRG
SCHEMBL2757822 0.74 ALOX5 (0.49) RAB9AALDH1A1KDM4EMEN1NPC1
SCHEMBL14115572 0.74 RIPK1 (0.61) CDC7MAOB
SCHEMBL3823697 0.73 RXRA (0.69) RAB9ANPC1ALOX5MAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 BACE1 1401/4885RAB9A 4325/4885ALDH1A1 93/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 BACE1 1401/4885RAB9A 4325/4885ALDH1A1 93/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 BACE1 1322/4885RAB9A 4399/4885ALDH1A1 110/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 BACE1 1322/4885RAB9A 4399/4885ALDH1A1 110/4885

“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.