SCHEMBL27405557

SCHEMBL27405557

C=CC(C)(C)c1ccccc1-c1cc(-c2ccccc2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ MIF P14174 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ KMO O15229 2/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C19 P33261 9/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 6/20 0.39
▸ CYP2D6 P10635 5/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL16553034 0.84 MIF (0.47) CYP1A2CYP3A4MIFASIC3KMO
SCHEMBL31748581 0.73 LDHA (0.37) MIFASIC3KMT2ANPC1RAB9A
SCHEMBL21003370 0.73 ASIC3 (0.57) CYP1A2CYP3A4MIFASIC3KMO
SCHEMBL284286 0.73 ASIC3 (0.71) CYP1A2MIFASIC3KMOKMT2A
SCHEMBL27904874 0.71 ASIC3 (0.68) CYP1A2MIFASIC3KMOKMT2A
SCHEMBL28218682 0.71 ASIC3 (0.68) CYP1A2MIFASIC3KMOKMT2A
SCHEMBL29406194 0.71 ASIC3 (0.68) CYP1A2MIFASIC3KMOKMT2A
SCHEMBL31748495 0.70 LDHA (0.35) MIFASIC3KMT2ANPC1RAB9A
SCHEMBL31121692 0.69 MIF (0.50) CYP1A2CYP3A4MIFASIC3KMO
SCHEMBL6674627 0.69 SMN1; SMN2 (0.60) CYP1A2CYP3A4MIFASIC3KMO

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-20240215287-A1 Light-Emitting Element SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-06-27 — — 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-20240215287-A1 Light-Emitting Element NR2E3, ERCC1, HPRT1 CYP1A2 937/4885CYP3A4 802/4885MIF 2089/4885

“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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