SCHEMBL17278976

SCHEMBL17278976

FC(F)(F)c1ccc(N=Nc2ccc(-c3ccc(N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GSK3B P49841 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL18409048 0.95 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL12069726 0.95 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL19844446 0.88 AKR1C3 (0.50) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL17278983 0.87 GSK3B (0.51) ALDH1A1MAPTHPGDSMN1; SMN2GSK3B
SCHEMBL19648735 0.87 MAPT (0.52) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL2203983 0.85 AKR1C3 (0.68) AKR1C3ALDH1A1MAPTHPGDLMNA
SCHEMBL12071146 0.84 AKR1C3 (0.47) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL17278980 0.84 CA12 (0.41) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL17368563 0.82 CA12 (0.47) AKR1C3ALDH1A1MAPTTHRBHPGD
SCHEMBL12069818 0.82 CA12 (0.47) AKR1C3ALDH1A1MAPTTHRBHPGD

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-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — 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-20150337203-A1 COMPOSITION CRY1, CRY2, C5 AKR1C3 2155/4885ALDH1A1 3469/4885MAPT 120/4885

“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.

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