SCHEMBL4947208

SCHEMBL4947208

O=C(I)c1ccc(Oc2ccc(C(=O)I)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.61
▸ PARP15 Q460N3 4/20 0.61
▸ HPGD P15428 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ PARP14 Q460N5 2/20 0.61
▸ PARP16 Q8N5Y8 1/20 0.61
▸ PARP11 Q9NR21 1/20 0.61
▸ PARP4 Q9UKK3 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SRD5A2 P31213 2/20 0.50
▸ F2 P00734 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ ST14 Q9Y5Y6 1/20 0.48
▸ MMP13 P45452 1/20 0.47
▸ PARP3 Q9Y6F1 1/20 0.47

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
SCHEMBL815029 0.82 TSHR (0.50) HPGDALDH1A1MAPTTSHRHTT
SCHEMBL3238552 0.79 CES2 (0.70) PARP10HPGDKMT2APARP4MAPT
SCHEMBL25046383 0.79 ELANE (0.42) PARP10PARP15HPGDALDH1A1KMT2A
Terephthalic Acid SCHEMBL9861713 0.78 PARP10 (0.78) PARP10PARP15HPGDALDH1A1KMT2A
SCHEMBL22281 0.78 PARP10 (0.78) PARP10PARP15HPGDALDH1A1KMT2A
SCHEMBL5581520 0.78 PARP10 (0.78) PARP10PARP15HPGDALDH1A1KMT2A
SCHEMBL766069 0.78 PARP10 (0.78) PARP10PARP15HPGDALDH1A1KMT2A
SCHEMBL26728639 0.78 ADORA3 (0.50) PARP10PARP15HPGDALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9633355 0.76 PARP10 (0.75) PARP10PARP15HPGDALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL9436485 0.76 PARP10 (0.75) PARP10PARP15HPGDALDH1A1KMT2A

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
WO-2017218714-A1 GENETICALLY MODIFIED CELLS, TISSUES, AND ORGANS FOR TREATING DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-12-21 — — WO disclosed
US-20080146768-A1 PROCESSES FOR PREPARING POLYMERS USING ALPHA,OMEGA-DIFUNCTIONAL ALDARAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2008-06-19 — — US disclosed
EP-1858955-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-28 — — EP disclosed
US-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-23 — — US disclosed
WO-2006091901-A1 PROCESSES USING ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES AS MONOMERS AND CROSSLINKERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-31 — — 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 (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-20060264672-A1 Processes using alpha, omega-difunctional aldaramides as monomers and crosslinkers ALOX5, GSTO1, FASN PARP10 1884/4885PARP15 1250/4885HPGD 113/4885

“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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