SCHEMBL6934710

SCHEMBL6934710

COCOc1cccc(C)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
PTPN1 P18031 1/20 0.45
EGFR P00533 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN4A P35499 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1607613 0.89 EGFR (0.44) SYKPTPN1EGFRNPC1RAB9A
SCHEMBL9446206 0.80 SYK (0.50) SYKMAPTTDP1TSHRMEN1
SCHEMBL30719053 0.79 MAPT (0.62) SYKNPC1RAB9ACASP3SENP8
SCHEMBL2279174 0.79 ALDH1A1 (0.50) PTPN1NPC1RAB9ATDP1TSHR
SCHEMBL30179627 0.79 ALDH1A1 (0.50) PTPN1NPC1RAB9ATDP1TSHR
SCHEMBL15225795 0.79 ADRB2 (0.40) EGFRL3MBTL1ADRB2CHEK1AURKA
SCHEMBL29005793 0.77 FABP4 (0.41) SYKNPC1RAB9AMAPTTSHR
SCHEMBL6932234 0.77 PTPN1 (0.49) PTPN1EGFRRAB9AMAPTMAPK1
SCHEMBL22182755 0.76 HTR1B (0.55) PTPN1RAB9AMAPTMAPK1TDP1
SCHEMBL11020601 0.76 HTR1B (0.45) SYKRAB9AMAPK1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 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 (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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 SYK 688/4885PTPN1 428/4885EGFR 1265/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 SYK 878/4885PTPN1 1923/4885EGFR 229/4885

“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.