SCHEMBL20845112

SCHEMBL20845112

CC1(C)c2ccccc2-c2cc3c(cc21)Sc1ccccc1-c1ccccc1/C=C\c1ccc(-c2cc(-c4ccccc4)nc(-c4cccnc4)n2)cc1-3

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ AHR P35869 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20845109 0.97 PDK2 (0.34) TSHRALDH1A1MAPTPOLBPDK2
SCHEMBL20845257 0.97 PDK2 (0.34) TSHRALDH1A1MAPTPOLBPDK2
SCHEMBL20845252 0.97 PDK2 (0.33) TSHRALDH1A1MAPTPOLBPDK2
SCHEMBL20845258 0.96 PDK2 (0.34) TSHRALDH1A1MAPTPOLBPDK2
SCHEMBL20845255 0.95 CYP3A4 (0.31) TSHRALDH1A1MAPTPOLBPDK2
SCHEMBL20845260 0.93 PDK2 (0.31) PDK2CYP3A4CYP2C9CYP19A1
SCHEMBL20845253 0.93 PDK2 (0.31) PDK2CYP3A4CYP19A1
SCHEMBL20845111 0.92 MEN1 (0.35) ALDH1A1MAPTKDM4EGLAHPGD
SCHEMBL20845254 0.91 MEN1 (0.33) ALDH1A1MAPTKDM4EGLAHPGD
SCHEMBL20845106 0.91 PDK2 (0.33) TSHRALDH1A1MAPTPOLBPDK2

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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 TSHR 765/4885ALDH1A1 981/4885MAPT 4294/4885

“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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