SCHEMBL17299140

SCHEMBL17299140

CC(O)c1cccc(-c2ccc(OCC(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PPARG P37231 2/20 0.51
▸ PPARD Q03181 2/20 0.51
▸ ADRB3 P13945 2/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CTSA P10619 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PPARA Q07869 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48

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
SCHEMBL15447650 1.00 MAPT (0.52) MAPTALDH1A1TSHRPPARGPPARD
SCHEMBL18563422 0.89 MAPT (0.49) MAPTADRB3ADRB2ADRB1ADRA1D
SCHEMBL15447648 0.84 KDM4E (0.53) MAPTALDH1A1PPARGPPARANPC1
SCHEMBL17299139 0.84 KDM4E (0.53) MAPTALDH1A1PPARGPPARANPC1
SCHEMBL8251009 0.80 FFAR1 (0.65) MAPTPPARGPPARDSMN1; SMN2PPARA
SCHEMBL15447706 0.79 CYP1A2 (0.69) MAPTALDH1A1PPARGADRB3CYP1A2
SCHEMBL15447676 0.79 CYP1A2 (0.69) MAPTALDH1A1PPARGADRB3CYP1A2
SCHEMBL17299142 0.79 CYP1A2 (0.69) MAPTALDH1A1PPARGADRB3CYP1A2
SCHEMBL5959601 0.79 RXRA (0.53) MAPTALDH1A1TSHRPPARGPPARD
SCHEMBL422442 0.78 ALOX15 (0.76) MAPTALDH1A1PPARGPPARDSMN1; SMN2

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-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-9512175-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-12-06 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — US disclosed
US-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2015-12-03 — — 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-20150344521-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS MAPT 3301/4885ALDH1A1 1076/4885TSHR 3768/4885

“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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