SCHEMBL3173473

SCHEMBL3173473

O=C(CCCBr)OC(=O)CCCBr

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 5/20 0.41
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
TRPA1 O75762 1/20 0.32
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL14938147 0.91 ALDH1A1 (0.46) ALDH1A1TSHRLMNADGKAPRSS1
SCHEMBL19863302 0.88 ALDH1A1 (0.43) ALDH1A1TSHRLMNADGKAPRSS1
SCHEMBL6887378 0.88 ALDH1A1 (0.43) ALDH1A1TSHRLMNADGKAPRSS1
SCHEMBL3173479 0.87 ALDH1A1 (0.71) ALDH1A1TSHRLMNADGKACYP1A2
SCHEMBL24246432 0.86 TSHR (0.36) ALDH1A1TSHRLMNAKDM4EMEN1
SCHEMBL2789194 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAKDM4EMEN1
SCHEMBL2199876 0.81 TSHR (0.41) ALDH1A1TSHRLMNAKDM4EMEN1
SCHEMBL6738571 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25304019 0.80 ALDH1A1 (0.54) ALDH1A1TSHRLMNADGKA
SCHEMBL21811919 0.79 DGKA (0.41) ALDH1A1TSHRLMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022415-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KET. (HU) 2010-01-28 US claimed
EP-2080026-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE Avicor Kft. (HU) 2009-07-22 EP claimed
WO-2008023208-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KFT. (HU) 2008-02-28 WO claimed
CN-119505178-B Cured product of organic phosphine modified unsaturated resin and polyhalogenated compound and preparation method thereof 浙江工业大学 2025-04-04 CN disclosed
CN-119505178-A Cured product of organic phosphine modified unsaturated resin and polyhalogenated compound and preparation method thereof 浙江工业大学 2025-02-25 CN disclosed
CN-102477082-A Method for synthesizing carbetocin by liquid phase synthesis method HANGZHOU HEJIN TECHNOLOGY CO LTD 2012-05-30 CN disclosed
US-20100022415-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KET. (HU) 2010-01-28 US disclosed
EP-2080026-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE Avicor Kft. (HU) 2009-07-22 EP disclosed
WO-2008023208-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KFT. (HU) 2008-02-28 WO disclosed
US-5622944-A MODIFIED 17-HYDROXY STEROL; TRANSDERMAL ELECTROTRANSPORT ENHANCEMENT AFFYMAX TECHNOLOGIES N.V. (GB) 1997-04-22 US disclosed
US-4883876-A CEREBRAL VASCULAR DISORDERS, ARTERIOSCLEROSIS, STROKE, DEMENTIA TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 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-20100022415-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE SLC43A1, PAICS, PIGO ALDH1A1 1461/4885TSHR 1339/4885LMNA 1589/4885

“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.