SCHEMBL8375012

SCHEMBL8375012

CC([O])c1c(F)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCEH1 Q6PIU2 2/20 0.40
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CYP1A2 P05177 3/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19682791 0.86 HPRT1 (0.42) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4569234 0.84 NCEH1 (0.45) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL18243139 0.78 ALDH1A1 (0.42) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL18242403 0.78 CYP1A2 (0.52) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL8377379 0.77 CYP2A6 (0.50) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL15750882 0.77 KMT2A (0.53) ALDH1A1HSD17B10TDP1CYP1A2MAPT
SCHEMBL18244135 0.77 ALDH1A1 (0.41) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL3674343 0.76 ALDH1A1 (0.44) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL18242235 0.76 ATM (0.41) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL15750673 0.74 MAPT (0.56) ALDH1A1HSD17B10NCEH1CYP1A2MAPT

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 HPRT1 2168/4885ALDH1A1 151/4885CYP2A6 375/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HPRT1 2168/4885ALDH1A1 151/4885CYP2A6 375/4885

“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.