SCHEMBL3700761

SCHEMBL3700761

O=C1CCC(F)(F)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
AKR1A1 P14550 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KDM1A O60341 2/20 0.37
PDK2 Q15119 1/20 0.37
SRD5A1 P18405 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP2 O95551 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
SCHEMBL31277781 1.00 AKR1B1 (0.40) AKR1B1AKR1A1CA1CA2CA7
SCHEMBL30205921 0.82 AKR1B1 (0.40) AKR1B1AKR1A1CA1CA2CA7
SCHEMBL30643148 0.81 TDP2 (0.40) AKR1B1AKR1A1CA1CA2CA7
SCHEMBL30768953 0.81 PBRM1 (0.49) CA1CA2CA7CA9PDK2
SCHEMBL15717088 0.81 MALT1 (0.41) AKR1B1AKR1A1CA1CA2CA7
SCHEMBL30768989 0.77 KDM4E (0.48) CA1CA2CA7CA9PDK2
SCHEMBL22289184 0.76 CYP2A6 (0.39) PDK2
SCHEMBL31277824 0.75 PDK2 (0.37) AKR1B1AKR1A1CA1CA2CA7
SCHEMBL10604042 0.73 AKR1B1 (0.59) AKR1B1AKR1A1MAPT
SCHEMBL15716876 0.70 MALT1 (0.41) CA1CA2CA7CA9PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9273009-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
WO-2013036434-A1 TETRAHYDRONAPHTHALENE DERIVATIVES AS T-TYPE CALCIUM CHANNEL BLOCKER CONCERT PHARMACEUTICALS INC. (US) 2013-03-14 WO disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G AKR1B1 443/4885AKR1A1 671/4885CA1 1190/4885
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G AKR1B1 443/4885AKR1A1 671/4885CA1 1190/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G AKR1B1 443/4885AKR1A1 671/4885CA1 1190/4885

“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.