SCHEMBL1680265

SCHEMBL1680265

OCC1(Cc2ccccc2)OC=CO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.41
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
LMNA P02545 1/20 0.36
KDM1A O60341 5/20 0.35
OPRL1 P41146 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
CALM1 P0DP23 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL1680498 0.84 TDP1 (0.45) TDP1TSHRMAOAMAOBLMNA
SCHEMBL1680522 0.79 IDO1 (0.41) TDP1TSHRMAOAMAOBLMNA
SCHEMBL1680292 0.79 MAOA (0.38) TDP1TSHRMAOAMAOBLMNA
SCHEMBL1240598 0.78 TDP1 (0.41) TDP1TSHRMAOAMAOBLMNA
SCHEMBL1680535 0.76 IDO1 (0.38) TDP1TSHRMAOAMAOBLMNA
SCHEMBL28027732 0.73 TSHR (0.39) TDP1TSHRMAOAMAOBLMNA
SCHEMBL1680374 0.70 ELANE (0.40) TDP1TSHRMAOAMAOBOPRL1
SCHEMBL14779625 0.67 MAOA (0.46) MAOAMAOBLMNAKDM1ACALM1
SCHEMBL9483827 0.67 TDP1 (0.39) TDP1TSHRMAOAMAOBLMNA
SCHEMBL9384798 0.67 MAOA (0.42) TDP1TSHRMAOAMAOBLMNA

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
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 TDP1 3095/4885TSHR 3875/4885MAOA 562/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 TDP1 2976/4885TSHR 3952/4885MAOA 538/4885

“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.