SCHEMBL445181

SCHEMBL445181

CCCCCCC(CCCC)COC(=O)/C(C#N)=C(\c1ccccc1)c1ccc(C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
LMNA P02545 4/20 0.77
MAPK1 P28482 2/20 0.77
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CYP3A4 P08684 2/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
CTSG P08311 4/20 0.35
CMA1 P23946 4/20 0.35
CTRB1 P17538 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL442480 0.93 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1PRSS1PRSS2
SCHEMBL9069191 0.93 ALDH1A1 (0.89) ALDH1A1LMNAMAPK1PRSS1PRSS2
SCHEMBL14300480 0.91 ALDH1A1 (0.91) ALDH1A1LMNAMAPK1PRSS1PRSS2
SCHEMBL10067446 0.90 ALDH1A1 (0.74) ALDH1A1LMNAMAPK1PRSS1PRSS2
SCHEMBL13492185 0.88 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1PRSS1PRSS2
SCHEMBL823027 0.88 ALDH1A1 (0.81) ALDH1A1LMNAMAPK1PRSS1PRSS2
Octocrylene SCHEMBL16483 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1PRSS1PRSS2
Octocrylene SCHEMBL1769135 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1PRSS1PRSS2
Octocrylene SCHEMBL818975 0.86 ALDH1A1 (0.93) ALDH1A1LMNAMAPK1PRSS1PRSS2
Octocrylene SCHEMBL28123035 0.86 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431112-B2 Photostabilization of cholecalciferol with alkoxycrylene compounds Hallstar Innocations Corp. (US) 2013-04-30 US disclosed
US-8329148-B1 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-12-11 US disclosed
US-20120308495-A1 PHOTOSTABILIZATION OF COENZYME Q COMPOUNDS WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATION CORP. (US) 2012-12-06 US disclosed
US-8278332-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-10-02 US disclosed
US-8268294-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-18 US disclosed
US-8263051-B2 Photostabilization of resveratrol with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-11 US disclosed
US-8257687-B2 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-04 US disclosed
US-20120114572-A1 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-05-10 US disclosed
US-20120107255-A1 PHOTOSTABILIZATION OF CHOLECALCIFEROL WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2012-05-03 US disclosed
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2012-03-15 US disclosed
US-20110251242-A1 PHOTOSTABILIZATION OF RESVERATROL WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2011-10-13 US disclosed
US-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds HALLSTAR INNOVATIONS CORP. (US) 2011-06-16 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 (6 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-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds RBP4, RARA, RBP1 ALDH1A1 60/4885LMNA 408/4885MAPK1 1181/4885
US-20120308495-A1 PHOTOSTABILIZATION OF COENZYME Q COMPOUNDS WITH ALKOXYCRYLENE COMPOUNDS NDUFA10, COQ8A, NDUFB10 ALDH1A1 237/4885LMNA 474/4885MAPK1 3240/4885
US-20120107255-A1 PHOTOSTABILIZATION OF CHOLECALCIFEROL WITH ALKOXYCRYLENE COMPOUNDS CYP2R1, VDR, CYP24A1 ALDH1A1 228/4885LMNA 337/4885MAPK1 2279/4885
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS RBP4, RARA, RBP1 ALDH1A1 57/4885LMNA 495/4885MAPK1 1332/4885
US-20120114572-A1 Photostabilization of coenzyme Q compounds with alkoxycrylene compounds NDUFA10, COQ8A, NDUFB10 ALDH1A1 237/4885LMNA 474/4885MAPK1 3240/4885
US-20110251242-A1 PHOTOSTABILIZATION OF RESVERATROL WITH ALKOXYCRYLENE COMPOUNDS CBR1, CBR3, PC ALDH1A1 223/4885LMNA 636/4885MAPK1 1792/4885

“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.