SCHEMBL4608591

SCHEMBL4608591

COc1ccc(C2CCCCC2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL4609520 0.98 PTGDR2 (0.50) PTGDR2NPC1RAB9AALDH1A1CYP3A4
Acetic Acid SCHEMBL27702447 0.92 PTGDR2 (0.56) PTGDR2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL4882683 0.86 PTGDR2 (0.56) PTGDR2NPC1RAB9AALDH1A1MEN1
SCHEMBL6437932 0.82 ESR2 (0.45) PTGDR2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL3139821 0.81 PTGDR2 (0.50) PTGDR2ALDH1A1MEN1KMT2AHTR2C
SCHEMBL6434946 0.81 PDE10A (0.41) PTGDR2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL6433294 0.80 ESR2 (0.47) PTGDR2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL5935862 0.80 ALDH1A1 (0.46) ALDH1A1TYRMAPT
SCHEMBL19892266 0.80 ALDH1A1 (0.46) ALDH1A1TYRMAPT
SCHEMBL29427940 0.80 ALDH1A1 (0.46) ALDH1A1TYRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184722-B Novel resorcinol derivatives for skin UNILEVER NV 2011-06-22 CN claimed
EP-1861353-B1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2008-10-08 EP claimed
CN-101184722-A Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE (NL) 2008-05-21 CN claimed
CN-101175711-A Novel resorcinol derivatives UNILEVER PLC (NL) 2008-05-07 CN claimed
EP-1861353-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2007-12-05 EP claimed
EP-1858835-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2007-11-28 EP claimed
US-20060210498-A1 Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US claimed
WO-2006097224-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2006-09-21 WO claimed
WO-2006097223-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2006-09-21 WO claimed
US-20060210497-A1 Novel resorcinol derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US claimed
CN-101184722-B Novel resorcinol derivatives for skin UNILEVER NV 2011-06-22 CN disclosed
US-7468464-B2 Resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-12-23 US disclosed
EP-1861353-B1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2008-10-08 EP disclosed
US-20080131382-A1 Novel Resorcinol Derivatives for Skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-06-05 US disclosed
CN-101184722-A Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE (NL) 2008-05-21 CN disclosed
EP-1858835-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2007-11-28 EP disclosed
US-20060210498-A1 Novel resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 US disclosed
WO-2006097223-A1 NOVEL RESORCINOL DERIVATIVES UNILEVER PLC (GB) 2006-09-21 WO disclosed
WO-2006097224-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2006-09-21 WO disclosed
US-20060210497-A1 Novel resorcinol derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-09-21 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 (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-20080131382-A1 Novel Resorcinol Derivatives for Skin NR1H2, CYP1B1, NR0B1 PTGDR2 1677/4885NPC1 1184/4885RAB9A 3070/4885
US-20060210498-A1 Novel resorcinol derivatives for skin NR1H2, CYP1B1, NR0B1 PTGDR2 1677/4885NPC1 1184/4885RAB9A 3070/4885
US-20060210497-A1 Novel resorcinol derivatives NR1H2, DEGS1, NR1H3 PTGDR2 741/4885NPC1 697/4885RAB9A 3184/4885

“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.