SCHEMBL18242556

SCHEMBL18242556

CCc1cccc(C(C)(C)[O])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
KIF11 P52732 3/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
BCL2 P10415 1/20 0.41
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL18378104 0.86 KIF11 (0.49) MGLLKIF11LMNAMAPTCYP1A2
SCHEMBL18242426 0.83 LPL (0.47) KIF11NPC1MAPK1RAB9ATAAR1
SCHEMBL1653927 0.82 KIF11 (0.49) MGLLKIF11LMNAMAPTTP53
SCHEMBL16105424 0.82 KIF11 (0.49) MGLLKIF11LMNAMAPTTP53
SCHEMBL30573009 0.82 KIF11 (0.49) MGLLKIF11LMNAMAPTTP53
SCHEMBL6018242 0.80 HDAC4 (0.42) MGLLKIF11TP53CYP1A2CYP2C19
SCHEMBL25786332 0.80 KIF11 (0.47) MGLLKIF11LMNAMAPTTP53
SCHEMBL17805427 0.78 HTR2A (0.47) MGLLKIF11LMNAMAPTALDH1A1
SCHEMBL20811436 0.78 HTR2A (0.47) MGLLKIF11LMNAMAPTALDH1A1
SCHEMBL3177646 0.78 KIF11 (0.50) MGLLKIF11LMNAMAPTALDH1A1

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 MGLL 2557/4885KIF11 3984/4885LMNA 2963/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 MGLL 2557/4885KIF11 3984/4885LMNA 2963/4885

“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.