SCHEMBL2453033

SCHEMBL2453033

C=COC(CCCCCCCCCCCCCCCCC)OC=C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
FDPS P14324 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL13687283 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL13687268 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL755748 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL2130926 1.00 SMPD1 (0.44) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL36477 0.98 SMPD1 (0.41) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL13686628 0.91 TSHR (0.40) SMPD1TSHRDNM1
Cyclohexane SCHEMBL6913818 0.90 SMPD1 (0.42) SMPD1TSHRLMNAFDPSGPR84
SCHEMBL6762424 0.85 OPRM1 (0.37) SMPD1TSHRLMNAOPRM1
SCHEMBL11697875 0.83 TSHR (0.38) SMPD1TSHRLMNADNM1ADH1B
SCHEMBL20599262 0.83 TSHR (0.38) SMPD1TSHRLMNADNM1ADH1B

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132248-B1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2016-07-13 EP disclosed
CN-101687775-B Aldimines and compositions comprising aldamine SIKA TECHNOLOGY AG 2015-05-06 CN disclosed
US-8519038-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2013-08-27 US disclosed
US-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2012-08-30 US disclosed
US-8252859-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2012-08-28 US disclosed
EP-1934172-B1 COMPOUNDS CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-09-28 EP disclosed
US-20100101455-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-04-29 US disclosed
EP-2178828-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDAMINE Sika Technology AG (CH) 2010-04-28 EP disclosed
CN-101687775-A Aldimines and compositions comprising aldamine SIKA TECHNOLOGY AG 2010-03-31 CN disclosed
EP-2132248-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN Sika Technology AG (CH) 2009-12-16 EP disclosed
WO-2008116928-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed
EP-1975190-A1 Aldimines with reactive groups containing active hydrogen Sika Technology AG (CH) 2008-10-01 EP disclosed
EP-1934169-A1 ALDIMINES COMPRISING REACTIVE GROUPS CONTAINING ACTIVE HYDROGEN, AND USE THEREOF Sika Technology AG (CH) 2008-06-25 EP disclosed
EP-1934172-A1 COMPOUNDS CONTAINING ALDIMINE Sika Technology AG (CH) 2008-06-25 EP disclosed
EP-1775284-A1 Compounds comprising aldimine groups Sika Technology AG (CH) 2007-04-18 EP disclosed
EP-1772447-A1 Aldimines with reactive groups comprising active hydrogen, and their use Sika Technology AG (CH) 2007-04-11 EP disclosed
WO-2007036572-A1 COMPOUNDS CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2007-04-05 WO disclosed
WO-2007036571-A1 ALDIMINES COMPRISING REACTIVE GROUPS CONTAINING ACTIVE HYDROGEN, AND USE THEREOF SIKA TECHNOLOGY AG (CH) 2007-04-05 WO disclosed
US-5049631-A Heat resistant SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-09-17 US disclosed
US-4299941-A MODIFIED WITH POLYBASIC ACID POLYALLYL ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-11-10 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-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDOA, ALDH7A1, ALDH3A1 SMPD1 4677/4885TSHR 4835/4885LMNA 674/4885
US-20100101455-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDH7A1, ILK, ALDH3A1 SMPD1 4570/4885TSHR 4884/4885LMNA 404/4885

“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.