SCHEMBL6285513

SCHEMBL6285513

O=C(OCc1ccccc1)c1ccccc1OCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HTT P42858 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.58
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ CASP3 P42574 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ LMNA P02545 2/20 0.48

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
SCHEMBL29687865 0.92 ALDH1A1 (0.65) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL25119642 0.92 ALDH1A1 (0.57) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL28082064 0.88 HTT (0.68) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL4415350 0.87 HTT (0.75) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL11421173 0.87 ALDH1A1 (0.65) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL9574717 0.86 HTT (0.73) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL8608219 0.85 ALDH1A1 (0.50) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL11323227 0.85 TSHR (0.76) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL15603426 0.84 TSHR (0.70) ALDH1A1HTTTDP1KMT2AMEN1
SCHEMBL11543266 0.84 ALDH1A1 (0.72) ALDH1A1TDP1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017140391-A1 WHITENING COMPOSITION UNILEVER PLC (GB) 2017-08-24 — — WO disclosed
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 — — US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 — — US disclosed
US-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 — — 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 (1 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA ALDH1A1 1516/4885HTT 406/4885TDP1 3601/4885

“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.

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