SCHEMBL969045

SCHEMBL969045

COC(=O)c1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMPD1 P17405 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FOLH1 Q04609 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 1/20 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
Valine SCHEMBL456404 0.89 HPGD (0.46) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL10735495 0.89 SMN1; SMN2 (0.70) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL17747100 0.89 SMN1; SMN2 (0.50) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL4295650 0.88 FOLH1 (0.62) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL11750017 0.88 NPC1 (0.53) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL1646582 0.87 RXRA (0.56) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL131382 0.86 MAOB (0.55) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL6895376 0.85 PARP1 (0.57) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL551475 0.84 FOLH1 (0.60) HPGDSMN1; SMN2NPC1RAB9ASMPD1
SCHEMBL6687833 0.84 HDAC8 (0.73) HPGDSMN1; SMN2NPC1RAB9ASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 EP disclosed
EP-3012254-A1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS Theravance Respiratory Company, LLC (US) 2016-04-27 EP disclosed
EP-2246345-B1 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2016-02-10 EP disclosed
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 US disclosed
US-8618131-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2013-12-31 US disclosed
US-20130150404-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2013-06-13 US disclosed
US-8247564-B2 Compounds having BETA2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-08-21 US disclosed
US-8242135-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2012-08-14 US disclosed
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
EP-0422889-A2 Phenethanolamine compounds GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4192805-A Process of preparing amino ethanols NICHOLAS INTERNATIONAL LIMITED (AU) 1980-03-11 US disclosed
US-4021485-A BRONCHOSPASMOLYTICS, ANTIPRURITICS, ANTIALLERGICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 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 (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-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HPGD 3026/4885SMN1; SMN2 3873/4885NPC1 2360/4885
US-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HPGD 3049/4885SMN1; SMN2 3885/4885NPC1 2298/4885

“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.