SCHEMBL3020449

SCHEMBL3020449

CCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.70
▸ ESR2 Q92731 7/20 0.70
▸ SLC6A2 P23975 3/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ SLC6A3 Q01959 3/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ TACR2 P21452 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ SHBG P04278 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSPD1 P10809 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HSPE1 P61604 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL6743316 0.94 ESR1 (0.62) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL3137055 0.92 ESR2 (0.61) ESR1ESR2CYP3A4ALDH1A1
SCHEMBL31757305 0.92 ESR1 (0.61) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL6744335 0.92 ESR1 (0.60) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL6743890 0.92 ESR1 (0.60) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL1691543 0.92 ESR1 (0.60) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL3151404 0.91 ESR1 (0.59) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL9164873 0.87 ESR1 (0.55) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL29215577 0.87 ESR1 (0.57) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL28044272 0.87 ESR1 (0.55) ESR1ESR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296594-A1 PHOTOCURABLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-11-07 — — US disclosed
US-20120264963-A1 PHOTOCURABLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-18 — — US disclosed
US-8217195-B2 Photocurable compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-07-10 — — US disclosed
US-20100197876-A1 PHOTOCURABLE COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-08-05 — — US disclosed
EP-0837085-A1 POLYCARBONATE-BASE POLYMER, PRODUCTION PROCESS, RESIN COATING FLUID PREPARED THEREFROM, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR PREPARED THEREFROM IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-04-22 — — EP 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-20130296594-A1 PHOTOCURABLE COMPOUND ACR, UMPS, UGT1A1 ESR1 1088/4885ESR2 1781/4885SLC6A2 4559/4885
US-20120264963-A1 PHOTOCURABLE COMPOUND ACR, UMPS, UGT1A1 ESR1 1088/4885ESR2 1781/4885SLC6A2 4559/4885

“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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