SCHEMBL489914

SCHEMBL489914

O=C(O)c1ccc(Br)cc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
TTR P02766 2/20 0.46
CTNNB1 P35222 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 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
SCHEMBL26936314 0.92 KDM4E (0.56) SLC6A4HTR6KDM4EPOLBALDH1A1
SCHEMBL47045 0.91 AKR1C3 (0.47) KDM4EPOLBMCL1ALDH1A1GLA
SCHEMBL20281786 0.90 KDM4E (0.51) KDM4EPOLBMCL1ALDH1A1GLA
SCHEMBL19305655 0.88 KDM4E (0.55) SLC6A4HTR6KDM4EPOLBTTR
SCHEMBL7755864 0.87 PTGDR2 (0.48) SLC6A4HTR6KDM4EPOLBTTR
SCHEMBL12726139 0.85 SORT1 (0.46) KDM4EPOLBALDH1A1HPGDGLA
SCHEMBL21327649 0.85 KDM4E (0.54) KDM4EPOLBMCL1ALDH1A1HPGD
SCHEMBL10170971 0.85 MAP3K8 (0.45) KDM4EPOLBMCL1GLACYP3A4
SCHEMBL490103 0.85 MAPT (0.50) KDM4EPOLBMCL1ALDH1A1HPGD
SCHEMBL28412115 0.85 CTNNB1 (0.55) KDM4EPOLBTTRCTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911932-B2 Organic electroluminescent material and organic optoelectronic device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-03-06 US disclosed
US-9911932-B2 Organic electroluminescent material and organic optoelectronic device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-03-06 US disclosed
US-20170256729-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-07 US disclosed
US-20170256729-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-07 US disclosed
US-20170256729-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-07 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0351887-B1 Tricyclic aromatic compounds WELLCOME FOUND (GB) 1995-07-26 EP disclosed
US-4923892-A DOXEPIN DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1990-05-08 US disclosed
EP-0214779-B1 TRICYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP disclosed
EP-0351887-A1 Tricyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-24 EP disclosed
US-4871865-A ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1989-10-03 US disclosed
EP-0316022-A2 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-17 EP disclosed
EP-0214779-A1 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-18 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-20170256729-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, C1S, OR51E2 SLC6A4 3614/4885HTR6 1841/4885KDM4E 2764/4885
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SLC6A4 664/4885HTR6 693/4885KDM4E 2174/4885

“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.