SCHEMBL3120643

SCHEMBL3120643

Brc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ AR P10275 1/20 0.49
▸ APP P05067 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ FOXM1 Q08050 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ MAOB P27338 2/20 0.47

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
SCHEMBL16594362 0.90 TSHR (0.56) TSHRAPPLMNACYP1A2PTGS1
SCHEMBL5677947 0.89 LMNA (0.62) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL903883 0.88 TSHR (0.58) TSHRAPPLMNACYP1A2PTGS1
SCHEMBL7635703 0.87 TSHR (0.48) TSHRLMNACYP1A2PTGS1SLC6A2
SCHEMBL27363692 0.86 TSHR (0.56) TSHRAPPLMNACYP1A2PTGS1
SCHEMBL4768252 0.86 TSHR (0.61) TSHRAPPMAOBL3MBTL1
SCHEMBL228292 0.84 LMNA (0.67) ARAPPLMNACYP1A2PTGS1
SCHEMBL9478520 0.84 KCNA3 (0.56) TSHRAPPMAOB
SCHEMBL8417765 0.84 KCNA3 (0.61) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL10713484 0.84 TSHR (0.54) TSHRLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 — — US disclosed
EP-2818531-A1 Polymerisable compounds and the use thereof in liquid-crystal displays Merck Patent GmbH (DE) 2014-12-31 — — EP disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 — — US disclosed
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 — — EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 — — US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 — — US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 — — EP disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP disclosed
WO-1996014283-A1 PROCESS AND INTERMEDIATES FOR PREPARING TRIPHENYLTRIFLUOROPROPANES AND -PROPENES EGIS Gyógyszergyár Rt. (HU) 1996-05-17 — — 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 (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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 TSHR 3366/4885MEN1 3369/4885KMT2A 1562/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A TSHR 181/4885MEN1 4166/4885KMT2A 1842/4885

“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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