SCHEMBL25101381

SCHEMBL25101381

CCC(C)(C)c1ccc(/C=C/Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CNR2 P34972 2/20 0.35
HRH3 Q9Y5N1 10/20 0.34
MAOB P27338 8/20 0.34
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL277827 0.79 CYP1A2 (0.55) NPC1RAB9AMAPTCYP1A2LMNA
SCHEMBL13636753 0.78 APP (0.41) NPC1RAB9AMAPTCYP1A2LMNA
SCHEMBL779443 0.78 NPC1 (0.58) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL13991702 0.77 ALDH1A1 (0.47) NPC1RAB9AMAPTCYP1A2LMNA
SCHEMBL4272691 0.75 ALDH1A1 (0.48) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL846398 0.75 ALDH1A1 (0.47) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL11469896 0.74 NPC1 (0.38) NPC1RAB9AMAPTCYP1A2LMNA
SCHEMBL156248 0.74 ESR1 (0.52) MAPTCYP1A2LMNAMAPK1ATM
Ammonia Solution, Strong SCHEMBL30424700 0.73 ALDH1A1 (0.46) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL13016 0.73 NPC1 (0.50) NPC1RAB9AMAPTLMNAMAPK1

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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 NPC1 4626/4885RAB9A 3100/4885MAPT 4382/4885

“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.