SCHEMBL78007

SCHEMBL78007

c1ccc(C(OC(c2ccccc2)c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 1/20 0.40
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35

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
SCHEMBL4846877 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL16000086 0.76 SLC6A4 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL10906712 0.76 IDO1 (0.40) ALDH1A1IDO1TDO2IDO2
SCHEMBL19984489 0.73 SLC6A4 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL31519360 0.73 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL28591832 0.72 DPP4 (0.58) ALOX5ALDH1A1AKR1C3AKR1C2GPR84
SCHEMBL31186225 0.72 ALOX5 (0.55) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3003492 0.72 ALOX5 (0.55) ALOX5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25302086 0.72 ALDH1A1 (0.59) ALDH1A1CYP1A2PTPN1KDM4EALPL
SCHEMBL29350007 0.72 ALDH1A1 (0.59) ALDH1A1CYP1A2PTPN1KDM4EALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873691-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-23 US disclosed
US-20160318920-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-11-03 US disclosed
US-9394293-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-07-19 US disclosed
US-20140350056-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2014-11-27 US disclosed
WO-2013021276-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-02-14 WO disclosed
US-8129388-B2 Therapeutic agents useful for treating pain Purde Pharma L.P. (US) 2012-03-06 US disclosed
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-24 US disclosed
US-20110281876-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-8030310-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. (US) 2011-10-04 US disclosed
EP-1942106-B1 Therapeutic agents useful for treating pain EURO CELTIQUE SA (LU) 2011-09-14 EP disclosed
EP-1487829-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN Euro-Celtique S.A. (LU) 2004-12-22 EP disclosed
US-20040235853-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-11-25 US disclosed
WO-2004029031-A2 THERAPEUTIC PIPERAZINE COMPOUNDS EURO-CELTQUE, S.A. (LU) 2004-04-08 WO disclosed
US-20040044003-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-04 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO disclosed
EP-1383505-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE Inotek Pharmaceuticals Corporation (US) 2004-01-28 EP disclosed
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain PURDUE PHARMA L.P. 2004-01-08 US disclosed
WO-2003074520-A1 THIADIAZOLYLPIPERAZINE DERIVATIVES USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE, S.A. (LU) 2003-09-12 WO disclosed
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease INOTEK PHARMACEUTICALS CORPORATION 2003-02-27 US disclosed
WO-2002076400-A2 INOSINE COMPOUNDS AND THEIR USE FOR TREATING OR PREVENTING AN INFLAMATION OR A REPERFUSION DISEASE INOTEK PHARMACEUTICALS CORPORATION (US) 2002-10-03 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 (8 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-20110281876-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, TRPV1 ALOX5 695/4885ALDH1A1 407/4885CYP1A2 2126/4885
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain OPRK1, OPRL1, OPRD1 ALOX5 110/4885ALDH1A1 742/4885CYP1A2 1411/4885
US-20030040502-A1 Inosine compounds and their use for treating or preventing an inflamation or a reperfusion disease NOS2, NOS1, ARG2 ALOX5 216/4885ALDH1A1 1330/4885CYP1A2 3132/4885
US-20160318920-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPV2, TRPA1 ALOX5 526/4885ALDH1A1 336/4885CYP1A2 540/4885
US-20110288100-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN OPRL1, OPRK1, MTNR1A ALOX5 409/4885ALDH1A1 652/4885CYP1A2 1359/4885
US-20140350056-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPV2, TRPA1 ALOX5 526/4885ALDH1A1 336/4885CYP1A2 540/4885
US-20040235853-A1 Therapeutic agents useful for treating pain OPRM1, OPRL1, ALPI ALOX5 479/4885ALDH1A1 687/4885CYP1A2 1601/4885
US-20040044003-A1 Therapeutic agents useful for treating pain GRIK5, HBS1L, GABRR1 ALOX5 564/4885ALDH1A1 1203/4885CYP1A2 2974/4885

“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.