SCHEMBL2875005

SCHEMBL2875005

Cc1ccc(OCc2ccccc2)cc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
MAOB P27338 10/20 0.53
RAB9A P51151 3/20 0.50
MAOA P21397 3/20 0.50
NPC1 O15118 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL31725938 0.86 ALOX5 (0.56) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL8335885 0.84 ALOX5 (0.61) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL1923788 0.81 MAOB (0.62) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL19286354 0.81 ALOX5 (0.58) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL10477402 0.80 APP (0.53) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL12743254 0.79 MRGPRX4 (0.68) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL7879365 0.79 ALOX5 (0.56) ALOX5MAOBRAB9AMAOANPC1
SCHEMBL30176403 0.79 MAOB (0.57) ALOX5MAOBRAB9AMAOAL3MBTL1
SCHEMBL2390178 0.79 LMNA (0.59) ALOX5MAOBRAB9AMAOAL3MBTL1
SCHEMBL20456375 0.79 MAOB (0.57) ALOX5MAOBRAB9AMAOAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
CN-101675059-A Macrocyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2010-03-17 CN disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB ALOX5 1091/4885MAOB 770/4885RAB9A 4211/4885
US-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 ALOX5 4623/4885MAOB 3489/4885RAB9A 2143/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB ALOX5 1091/4885MAOB 770/4885RAB9A 4211/4885

“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.