SCHEMBL14226508

SCHEMBL14226508

CC(F)(F)C(F)(F)OCCOC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
PRKCA P17252 1/20 0.41
CYP17A1 P05093 3/20 0.40
CYP19A1 P11511 3/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL14226511 0.92 ALDH1A1 (0.43) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13447505 0.92 NPSR1 (0.42) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL18051172 0.92 NPSR1 (0.42) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13447504 0.88 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13447503 0.87 NPSR1 (0.50) ALDH1A1NPSR1LMNA
SCHEMBL6357099 0.82 ALDH1A1 (0.47) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL14240735 0.82 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL14226519 0.81 NPSR1 (0.36) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL14226512 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13447509 0.81 NPSR1 (0.36) ALDH1A1NPSR1MEN1KMT2AMAPT

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-9428485-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-30 US disclosed
US-20120315580-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-13 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 (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-20120315580-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN H1-10, H1-0, C1S ALDH1A1 2221/4885NPSR1 179/4885MEN1 140/4885

“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.