SCHEMBL25990002

SCHEMBL25990002

CC/C=C/c1ccc(C)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.51
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
MAOA P21397 1/20 0.44
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 3/20 0.43
CYP1A2 P05177 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL4088345 0.85 CYP1A1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4088341 0.85 CYP1A1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25990114 0.84 TUBB1 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14604886 0.84 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11910660 0.81 TYR (0.67) MAOACYP1A2MAOBNFE2L2APP
SCHEMBL4257522 0.81 TYR (0.67) MAOACYP1A2MAOBNFE2L2APP
SCHEMBL20087219 0.81 TYR (0.67) MAOACYP1A2MAOBNFE2L2APP
SCHEMBL30293787 0.81 TYR (0.67) MAOACYP1A2MAOBNFE2L2APP
SCHEMBL25990220 0.81 APP (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19730091 0.79 TYR (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-07-27 US disclosed
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-07-27 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-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS CYP51A1, CYP17A1, CYP4A11 TUBB1 3068/4885TUBB4A 2087/4885TUBB 3196/4885

“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.