SCHEMBL6199282

SCHEMBL6199282

O=C(Cc1ccc(Br)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
EGFR P00533 2/20 0.53
ERBB2 P04626 2/20 0.53
GSK3B P49841 2/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
LMNA P02545 2/20 0.46

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
SCHEMBL6203410 1.00 PTPN1 (0.55) PTPN1EGFRERBB2GSK3BRAB9A
SCHEMBL8584136 0.90 GSK3B (0.61) GSK3BRAB9ANPC1MAPTHDAC3
SCHEMBL29985867 0.90 GSK3B (0.61) GSK3BRAB9ANPC1MAPTHDAC3
SCHEMBL6201900 0.90 RAB9A (0.59) PTPN1RAB9ANPC1MAPTLMNA
SCHEMBL7854876 0.83 NPC1 (0.68) PTPN1GSK3BRAB9ANPC1MAPT
SCHEMBL5724883 0.83 RAB9A (0.68) PTPN1RAB9ANPC1MAPTALDH1A1
SCHEMBL8044783 0.83 NPC1 (0.68) PTPN1GSK3BRAB9ANPC1MAPT
SCHEMBL7167952 0.83 SRD5A2 (0.62) PTPN1RAB9ANPC1MAPTALDH1A1
SCHEMBL20262696 0.82 NPC1 (0.56) PTPN1GSK3BRAB9ANPC1HDAC1
Ethylene SCHEMBL10765273 0.82 LMNA (0.41) PTPN1EGFRERBB2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180006236-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 US disclosed
US-20180006236-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 US disclosed
WO-2016101865-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 WO disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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 (1 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-20180006236-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS OR10J3, OCIAD2, VDAC2 PTPN1 3990/4885EGFR 2628/4885ERBB2 4118/4885

“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.