SCHEMBL3235219

SCHEMBL3235219

O=C(OCc1ccccc1)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.61
▸ MAPT P10636 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ MRGPRX4 Q96LA9 1/20 0.58
▸ LMNA P02545 2/20 0.58
▸ NR4A2 P43354 2/20 0.58
▸ NR4A1 P22736 1/20 0.58
▸ NR4A3 Q92570 1/20 0.58
▸ P2RY14 Q15391 1/20 0.55
▸ MAOB P27338 2/20 0.55
▸ PARP10 Q53GL7 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55

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
SCHEMBL4254032 0.97 ALOX5 (0.62) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL6002245 0.91 KMT2A (0.70) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL9343792 0.88 TDP1 (0.58) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL2706461 0.88 KMT2A (0.66) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL1779167 0.87 ALOX5 (0.59) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25462523 0.87 KDM4E (0.58) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL9779551 0.87 ALOX5 (0.52) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL6658052 0.87 ADRB2 (0.54) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL5921632 0.86 MRGPRX4 (0.76) ALOX5MAPTNPC1SMN1; SMN2KMT2A
SCHEMBL6001946 0.86 KMT2A (0.64) MAPTNPC1TDP1RAB9ASMN1; 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 — — EP disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 — — US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 — — US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 — — US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 — — US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 — — US disclosed
EP-1515941-A1 2-NAPHTHAMIDE DERIVATIVES Bayer HealthCare AG (DE) 2005-03-23 — — EP disclosed
US-20040265731-A1 Photosensitive resin composition and photosensitive films and laminates made by using the same KANEKA CORPORATION (JP) 2004-12-30 — — US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 — — WO disclosed
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 — — EP disclosed
US-6703082-B1 VARIOUS NAPHTHALENE-CONTAINING LIQUID CRYSTALS DISPLAYTECH, INC. 2004-03-09 — — US disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 — — US disclosed
WO-2003106402-A1 2-NAPHTAMIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2003-12-24 — — WO disclosed
WO-2003045925-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2003-06-05 — — WO disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 — — US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 — — EP 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 (2 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-20090111862-A1 Compound QPCT, SQOR, SDHA ALOX5 2515/4885MAPT 3143/4885NPC1 3948/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 ALOX5 2273/4885MAPT 4180/4885NPC1 4346/4885

“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.

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