SCHEMBL10028290

SCHEMBL10028290

COC1=CCC(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
CDC25B P30305 4/20 0.44
CDC25A P30304 3/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
MAP2K7 O14733 1/20 0.43
GMNN O75496 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6909323 0.75 CDC25A (0.38) PTPN1CDC25BCDC25AIDO1MAPT
SCHEMBL7113360 0.73 CDC25A (0.50) PTPN1CDC25BCDC25AIDO1MAPT
SCHEMBL28490476 0.72 CDC25B (0.39) CDC25BCDC25AIDO1MAPTALDH1A1
SCHEMBL28905016 0.70 PTPRC (0.45) CDC25BIDO1MAPTALDH1A1RAB9A
SCHEMBL10028286 0.68 MAPT (0.43) CDC25BMAPTALDH1A1HPGDRAB9A
SCHEMBL29727870 0.68 IDO1 (0.41) CDC25BIDO1MAPTRAB9ASMN1; SMN2
SCHEMBL16047148 0.68 IDO1 (0.41) CDC25BIDO1MAPTRAB9ASMN1; SMN2
SCHEMBL12563120 0.68 PTPN1 (0.50) PTPN1CDC25BCDC25AMAPTALDH1A1
SCHEMBL13239917 0.68 ALDH1A1 (0.36) CDC25BMAPTALDH1A1HPGDRAB9A
SCHEMBL15548371 0.67 PTPN1 (0.33) PTPN1CDC25BCDC25AIDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166416-A Multicomponent system for producing foamed products 阿科玛法国公司 2021-07-23 CN disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-16 US disclosed
US-8357806-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2012-08-30 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
US-20100056792-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2010-03-04 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 (3 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-20100056792-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP PTPN1 3905/4885CDC25B 569/4885CDC25A 873/4885
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP PTPN1 3905/4885CDC25B 569/4885CDC25A 873/4885
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP PTPN1 3905/4885CDC25B 569/4885CDC25A 873/4885

“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.