SCHEMBL5397293

SCHEMBL5397293

O=Cc1ccc(N(CCCCCCCl)CCCCCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
ALDH1A3 P47895 3/20 0.53
ALDH3A1 P30838 2/20 0.53
CYP2A6 P11509 2/20 0.42
CYP2A13 Q16696 1/20 0.42
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
HIF1A Q16665 3/20 0.37
NFKB1 P19838 2/20 0.37
THPO P40225 2/20 0.37
PMP22 Q01453 2/20 0.37
GMNN O75496 1/20 0.37
CYP2D6 P10635 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL896520 0.85 ALDH1A1 (0.61) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL11526515 0.84 ALDH1A1 (0.67) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL1166127 0.82 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL609500 0.82 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL10438443 0.82 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL9448811 0.82 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL8626518 0.82 ALDH1A1 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL5888423 0.82 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL9875023 0.82 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL15364591 0.81 ALDH1A1 (0.74) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232913-B2 Paracyclophane molecules for two-photon absorption applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-19 US claimed
US-20060208235-A1 Paracyclophane molecules for two-photon absorption applications MITSUBISHI CHEMICAL COMPANY (JP) 2006-09-21 US claimed
US-7094929-B2 Water-soluble distyrylbenzene chromophores for applications in optoelectronic technologies THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-22 US claimed
US-7232913-B2 Paracyclophane molecules for two-photon absorption applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-19 US disclosed
US-7232913-B2 Paracyclophane molecules for two-photon absorption applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-19 US disclosed
US-20060208235-A1 Paracyclophane molecules for two-photon absorption applications MITSUBISHI CHEMICAL COMPANY (JP) 2006-09-21 US disclosed
US-7094929-B2 Water-soluble distyrylbenzene chromophores for applications in optoelectronic technologies THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-22 US disclosed
US-20040192968-A1 Water-soluble distyrylbenzene chromophores for applications in optoelectronic technologies HANCHUCK TRUST LLC 2004-09-30 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-20040192968-A1 Water-soluble distyrylbenzene chromophores for applications in optoelectronic technologies TBCB, CRYAB, CYBA ALDH1A1 867/4885ALDH1A3 334/4885ALDH3A1 528/4885
US-20060208235-A1 Paracyclophane molecules for two-photon absorption applications SPNS2, SLC35B2, CSPP1 ALDH1A1 1857/4885ALDH1A3 3341/4885ALDH3A1 1442/4885

“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.