SCHEMBL7168985

SCHEMBL7168985

CC[n+]1ccc(Cl)c2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.41
ALDH1A1 P00352 7/20 0.41
ALDH1A3 P47895 5/20 0.40
ALDH3A1 P30838 3/20 0.40
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
NSD2 O96028 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL6334825 0.94 PTGER4 (0.38) PTGER4ALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL6740684 0.92 PTGER4 (0.36) PTGER4ALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL6334754 0.74 HSD17B10 (0.44) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL1426139 0.72 KDM4E (0.40) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL4625936 0.72 KDM4E (0.44) ALDH1A1MAPTKDM4EMEN1RAB9A
Iodide SCHEMBL21436350 0.71 ACHE (0.40) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL6340569 0.70 KDM4E (0.39) MAPTKDM4EVCAM1HSD17B10
SCHEMBL6741615 0.69 HSD17B10 (0.39) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL1426018 0.69 ACHE (0.38) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4625719 0.67 KDM4E (0.41) ALDH1A1MAPTKDM4EMEN1RAB9A

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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 PTGER4 2667/4885ALDH1A1 9/4885ALDH1A3 200/4885

“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.