SCHEMBL7810141

SCHEMBL7810141

O=C/C=C/C=C/c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPRZ1 P23471 4/20 0.42
PTPN1 P18031 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
XDH P47989 2/20 0.38
APP P05067 5/20 0.36
KIF11 P52732 1/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL7810144 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL833952 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL7987955 0.76 CYP1A2 (0.53) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL7806247 0.76 CYP1A2 (0.53) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL7799651 0.76 CYP1A2 (0.53) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL22996803 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL7806244 0.76 CYP1A2 (0.53) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL7799649 0.76 CYP1A2 (0.53) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL11484204 0.73 CYP1A2 (0.59) ALDH1A1KDM4ETDP1PTPRZ1MAPT
SCHEMBL11484200 0.73 CYP1A2 (0.59) ALDH1A1KDM4ETDP1PTPRZ1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 US disclosed
US-20010031778-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-6300357-B1 FOR THERAPY OF MYCOTIC DISEASE OF A HUMAN BEING AND AN ANIMAL SANKYO COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 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-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 ALDH1A1 1123/4885KDM4E 2229/4885TDP1 3352/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 ALDH1A1 893/4885KDM4E 2992/4885TDP1 2799/4885

“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.