SCHEMBL8425536

SCHEMBL8425536

C[C](C)CSC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC2A1 P11166 1/20 0.36
POLB P06746 3/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
GBA1 P04062 3/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL13934134 0.81 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL979441 0.78 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL9036705 0.76 PIK3CD (0.32)
SCHEMBL9035649 0.74
SCHEMBL24564744 0.73 KMT2A (0.46) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL1200818 0.73 KMT2A (0.46) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL22104255 0.73 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL23352576 0.73 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL20173448 0.71 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1TSHRHPGD
SCHEMBL14280083 0.71 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051575-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-20 US disclosed
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 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-20140051575-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 ALDH1A1 2708/4885RAB9A 3516/4885NPC1 3097/4885

“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.