SCHEMBL3210666

SCHEMBL3210666

CCCN(CCC)C(=O)CCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL3199977 0.91 ALDH1A1 (0.50) ALDH1A1HPGDCA12CA2CA9
SCHEMBL9820372 0.86 ALDH1A1 (0.55) ALDH1A1HPGDCA12CA2CA9
Stearic Acid SCHEMBL16107494 0.84 GPR84 (0.57) ALDH1A1TSHRLMNAPOLBAPEX1
SCHEMBL4199901 0.83 CA12 (0.44) ALDH1A1HPGDCA12CA2CA9
SCHEMBL4205873 0.83 CA12 (0.44) ALDH1A1HPGDCA12CA2CA9
SCHEMBL22697507 0.83 ALDH1A1 (0.52) ALDH1A1HPGDTSHRLMNACYP1A2
SCHEMBL19604139 0.83 ALDH1A1 (0.52) ALDH1A1HPGDTSHRLMNACYP1A2
SCHEMBL4194719 0.83 CA12 (0.44) ALDH1A1HPGDCA12CA2CA9
SCHEMBL3198850 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCA12CA2CA9
SCHEMBL1819894 0.82 ALDH1A1 (0.67) ALDH1A1HPGDCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565428-A1 SUBSTITUTED UREAS AND CARBAMATES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP claimed
WO-2004050609-A1 SUBSTITUTED UREAS AND CARBAMATES ELAN PHARMACEUTICAL, INC. (US) 2004-06-17 WO claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
US-7351738-B2 Substituted ureas and carbamates ELAN PHARMACEUTICALS, INC. (US) 2008-04-01 US disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
EP-1565428-A1 SUBSTITUTED UREAS AND CARBAMATES Elan Pharmaceuticals, Inc. (US) 2005-08-24 EP disclosed
WO-2004050609-A1 SUBSTITUTED UREAS AND CARBAMATES ELAN PHARMACEUTICAL, INC. (US) 2004-06-17 WO 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1501/4885HPGD 1474/4885CA12 4689/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885HPGD 2394/4885CA12 1320/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885HPGD 1299/4885CA12 4676/4885

“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.