SCHEMBL4610231

SCHEMBL4610231

O=C(c1ccc(O)cc1O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
HSP90AB1 P08238 3/20 0.44
PDK2 Q15119 2/20 0.44
PDK4 Q16654 2/20 0.44
GFER P55789 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CNR2 P34972 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL12231514 0.98 CES2 (0.53) CES2ALDH1A1TSHRCA12CA1
SCHEMBL12231362 0.95 CES2 (0.53) CES2ALDH1A1TSHRCA12CA1
SCHEMBL12231363 0.91 CES2 (0.57) CES2ALDH1A1TSHRCA12CA1
SCHEMBL4122910 0.86 CA12 (0.50) ALDH1A1TSHRCA12CA1CA2
SCHEMBL1941494 0.83 ESR1 (0.46) ALDH1A1TSHRTDP1NPSR1MEN1
SCHEMBL1260625 0.81 CES2 (0.43) CES2PDK2PDK4CNR2MAPT
SCHEMBL3978477 0.78 KDM4E (0.57) ALDH1A1TSHRCA12CA1CA2
SCHEMBL2302963 0.77 ALDH1A1 (0.45) CES2ALDH1A1TSHRNPSR1MEN1
SCHEMBL4115726 0.76 CA12 (0.55) CES2ALDH1A1TSHRCA12CA1
SCHEMBL25262379 0.75 TDP1 (0.56) CES2ALDH1A1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7468464-B2 Resorcinol derivatives for skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-12-23 US 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
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
US-20080131382-A1 Novel Resorcinol Derivatives for Skin UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2008-06-05 US 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-1861353-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2007-12-05 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-2006097224-A1 NOVEL RESORCINOL DERIVATIVES FOR SKIN UNILEVER PLC (GB) 2006-09-21 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 (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-20080131382-A1 Novel Resorcinol Derivatives for Skin NR1H2, CYP1B1, NR0B1 CES2 451/4885ALDH1A1 692/4885TSHR 2710/4885
US-20060210498-A1 Novel resorcinol derivatives for skin NR1H2, CYP1B1, NR0B1 CES2 451/4885ALDH1A1 692/4885TSHR 2710/4885

“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.