SCHEMBL3215228

SCHEMBL3215228

C#C[CH]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
AMY1A P0DUB6 1/20 0.39
PKM P14618 1/20 0.39
KIF11 P52732 2/20 0.38
HDAC1 Q13547 1/20 0.38
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 4/20 0.34

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
SCHEMBL3219279 0.77 HDAC3 (0.44) CYP1A2TSHRKIF11HDAC1CA2
SCHEMBL3230155 0.73 CYP2A6 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9454070 0.73 CYP1A2 (0.48) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL1825729 0.72 CYP1A2 (0.64) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL348622 0.72 TSHR (0.52) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL1825727 0.72 CYP1A2 (0.64) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL424728 0.71 TSHR (0.73) CYP1A2TSHRLMNATYRKIF11
SCHEMBL29145894 0.70 CYP1A2 (0.61) CYP1A2TSHRLMNATYRGRIN2D
SCHEMBL3225817 0.70 CYP2A6 (0.44) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL14205332 0.70 GRIN2D (0.50) CYP1A2TSHRLMNATYRGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 CN disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CYP1A2 211/4885TSHR 1014/4885LMNA 3402/4885

“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.