SCHEMBL18636668

SCHEMBL18636668

CCOC(=O)C(F)(F)[C@@H](O)/C=C(\C)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADRB2 P07550 6/20 0.40
▸ ADRB1 P08588 6/20 0.40
▸ ADRB3 P13945 6/20 0.40
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL18623892 0.83 CES2 (0.42) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL18636671 0.79 TDP1 (0.40) RAB9AKDM4ENPC1SMN1; SMN2TAAR1
SCHEMBL17169104 0.76 CES2 (0.38) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL17169289 0.74 CES2 (0.34) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL17169101 0.73 KDM4E (0.49) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL28882937 0.73 KDM4E (0.49) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL18683160 0.69 TAAR1 (0.41) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL18517369 0.69 TAAR1 (0.41) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL15705136 0.69 CES2 (0.39) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL17169282 0.68 ADRB2 (0.36) RAB9AADRB2ADRB1ADRB3KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 — — 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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP RAB9A 2112/4885KDM4E 2950/4885NPC1 236/4885

“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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