SCHEMBL18243167

SCHEMBL18243167

[O]c1c(C(F)(F)C(F)(F)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
KCNJ11 Q14654 14/20 0.41
ABCC9 O60706 8/20 0.41
ABCC8 Q09428 8/20 0.41
KCNJ8 Q15842 8/20 0.41
ELANE P08246 1/20 0.40
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18242159 0.95 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL18377951 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL1645664 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL7653548 0.77 KDM4E (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL18242256 0.76 KCNJ11 (0.43) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL18242277 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL18243901 0.74 CES1 (0.33) ELANE
SCHEMBL18243441 0.74 ELANE (0.38) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4630970 0.73 HSD17B10 (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL18242858 0.73 CYP2A6 (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD

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 2 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

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 ALDH1A1 151/4885HSD17B10 339/4885KDM4E 4342/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885HSD17B10 339/4885KDM4E 4342/4885

“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.