SCHEMBL16505995

SCHEMBL16505995

CCNc1ccc(Br)nc1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TARBP2 Q15633 2/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ RAB9A P51151 3/20 0.39

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
SCHEMBL19372549 0.87 TARBP2 (0.44) TARBP2BRD4CYP1A2MEN1KMT2A
SCHEMBL16505959 0.85 PTGER4 (0.57) TARBP2BRD4CYP1A2MEN1KMT2A
SCHEMBL15574689 0.84 KMT2A (0.49) TARBP2BRD4CYP1A2MEN1KMT2A
SCHEMBL29922567 0.84 KMT2A (0.49) TARBP2BRD4CYP1A2MEN1KMT2A
SCHEMBL15573275 0.82 HPGD (0.52) TARBP2BRD4CYP1A2KMT2AMAPT
SCHEMBL16517241 0.81 MAPT (0.44) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL16506569 0.80 GAA (0.40) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL25248606 0.80 CA12 (0.49) TARBP2CYP1A2LMNAMAPTHTT
SCHEMBL31236724 0.80 CA12 (0.49) TARBP2CYP1A2LMNAMAPTHTT
SCHEMBL19715739 0.80 TARBP2 (0.48) TARBP2CYP1A2KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 — — US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — 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 (3 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA TARBP2 4067/4885BRD4 1974/4885CYP1A2 269/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA TARBP2 4067/4885BRD4 1974/4885CYP1A2 269/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA TARBP2 4067/4885BRD4 1974/4885CYP1A2 269/4885

“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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