SCHEMBL669696

SCHEMBL669696

Cc1ccc(Cl)c(C(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
POLB P06746 1/20 0.38
PLA2G7 Q13093 1/20 0.36
CD44 P16070 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL10073311 0.84 CYP3A4 (0.33) CYP3A4CYP1A2ALDH1A1TSHRLMNA
SCHEMBL10341191 0.80 CYP3A4 (0.35) CYP3A4POLBPLA2G7CYP1A1CYP1A2
SCHEMBL10341257 0.78 LMNA (0.36) CYP3A4CYP1A2ALDH1A1TSHRLMNA
SCHEMBL12985905 0.77 LMNA (0.35) CYP3A4CYP1A2ALDH1A1MAPK1S1PR1
SCHEMBL9420713 0.77 LMNA (0.33) CYP3A4S1PR1LMNA
SCHEMBL6357268 0.77 POLB (0.41) CYP3A4POLBCD44ALDH1A1SMN1; SMN2
SCHEMBL12360639 0.74 HTR2A (0.37) CYP3A4S1PR1LMNA
SCHEMBL6414355 0.74 ALDH1A1 (0.45) CYP3A4CD44ALDH1A1SMN1; SMN2TSHR
SCHEMBL31568962 0.74 CYP3A4 (0.48) CYP3A4POLBPLA2G7CD44ALDH1A1
SCHEMBL345826 0.74 CYP3A4 (0.48) CYP3A4POLBPLA2G7CD44ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103068789-B The method of position chlorination alkyl benzene amine between selectivity LONZA LTD. (CH) 2015-11-25 CN disclosed
US-9193667-B2 Process for the selective meta-chlorination of alkylanilines LONZA LTD. (CH) 2015-11-24 US disclosed
US-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD. (CH) 2013-12-19 US disclosed
EP-2606028-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES Lonza Ltd (CH) 2013-06-26 EP disclosed
CN-103068789-A Process for the selective meta-chlorination of alkylanilines LONZA AG 2013-04-24 CN disclosed
WO-2012022460-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD (CH) 2012-02-23 WO disclosed
US-4950792-A CHAIN LENGTHENING, CROSSLINKING AGENT FOR POLYURETHANES LONZA LTD. (CH) 1990-08-21 US disclosed
EP-0220641-B1 SUBSTITUTED P,P'-METHYLENE-BIS-ANILINES LONZA AG (CH) 1990-02-28 EP disclosed
EP-0220641-A1 Substituted p,p'-methylene-bis-anilines LONZA AG (CH) 1987-05-06 EP 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-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES CLIC4, CLIC1, NPM1 CYP3A4 54/4885POLB 1303/4885PLA2G7 3773/4885

“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.