SCHEMBL15727014

SCHEMBL15727014

Nc1cc(C(F)C(F)(F)C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL15727048 0.89
SCHEMBL15727016 0.81 ADRB2 (0.35) GLAPOLBGAATSHR
SCHEMBL30208491 0.77 CA12 (0.33) GLAPOLBGAATSHRCA12
SCHEMBL28844875 0.76 SMN1; SMN2 (0.35) GLAPOLBGAATSHR
SCHEMBL28316583 0.73 ESR1 (0.30)
SCHEMBL1243946 0.72 ALDH1A1 (0.52) GAACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1871507 0.71 ALDH1A1 (0.50) GAACA12CA1CA2CA9
SCHEMBL28309014 0.71 ADRB2 (0.33)
SCHEMBL28641917 0.70 ESR1 (0.32)
SCHEMBL5667750 0.70 CA1 (0.39) GLAPOLBGAATSHRCA12

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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
US-9323147-B2 Positive photosensitive resin composition, photosensitive resin film prepared by using the same, and display device SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-20150168835-A1 Positive Photosensitive Resin Composition, Photosensitive Resin Film Prepared by Using the Same, and Display Device SAMSUNG SDI CO., LTD. (KR) 2015-06-18 US disclosed
US-8735029-B2 Positive photosensitive resin composition, and display device and organic light emitting device using the same CHEIL INDUSTRIES INC. (KR) 2014-05-27 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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 GLA 2430/4885POLB 2120/4885GAA 4606/4885

“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.