SCHEMBL3681897

SCHEMBL3681897

COCCNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.51
ADRB2 P07550 1/20 0.46
NCF1 P14598 2/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.43
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL632952 0.88 KCNH3 (0.62) KCNH3NCF1MAPTALDH1A1HPGD
SCHEMBL28424828 0.82 KCNH3 (0.38) KCNH3ADRB2NCF1MAPTALDH1A1
SCHEMBL5556493 0.81 RORC (0.52) KCNH3NCF1MAPTALDH1A1GAA
SCHEMBL30800855 0.81 ABCB11 (0.49) KCNH3MAPTALDH1A1LMNAKDM4E
SCHEMBL5013171 0.80 KCNH3 (0.47) KCNH3NCF1MAPTALDH1A1HPGD
SCHEMBL8264100 0.78 MAPT (0.67) KCNH3MAPTALDH1A1LMNAKDM4E
SCHEMBL3062486 0.78 KCNH3 (0.65) KCNH3MAPTALDH1A1LMNAKDM4E
SCHEMBL8260133 0.78 ALDH1A1 (0.48) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL6571144 0.77 ADRB2 (0.44) KCNH3ADRB2NCF1MAPTALDH1A1
SCHEMBL14982724 0.77 KCNH3 (0.51) KCNH3NCF1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015124233-A1 COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING ONE OR MORE DIPHENYLAMINE DERIVATIVES, AND USE OF ONE OR MORE DIPHENYLAMINE DERIVATIVES FOR TANNING THE SKIN BEIERSDORF AG (DE) 2015-08-27 WO disclosed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 KCNH3 4241/4885ADRB2 2242/4885NCF1 1690/4885

“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.