SCHEMBL6403712

SCHEMBL6403712

Cc1cc(C(C)(C)C)cc(C)c1C(=O)C(CP=O)C(=O)c1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.34
HTR1B P28222 1/20 0.34
RXRB P28702 5/20 0.34
RXRA P19793 4/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
ACHE P22303 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 2/20 0.31
ELANE P08246 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CD69 Q07108 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 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
SCHEMBL5996433 0.95 KDM4E (0.37) HTR1DHTR1BRXRBRXRAALDH1A1
SCHEMBL6399267 0.85 CYP3A4 (0.37) HPGD
SCHEMBL2499307 0.84 KDM4E (0.36) ALDH1A1RAB9AHPGDPOLBKDM4E
SCHEMBL7183772 0.78 CYP1A2 (0.37) RXRBRXRAALDH1A1RAB9ATSHR
SCHEMBL5997921 0.78 KMT2A (0.35) ALDH1A1HPGDPOLBKDM4EL3MBTL1
SCHEMBL152304 0.77 L3MBTL1 (0.36) ALDH1A1RAB9AHPGDL3MBTL1NPC1
SCHEMBL4271808 0.74 FFAR1 (0.45) HTR1DHTR1BRXRBRXRAALDH1A1
SCHEMBL5994805 0.74 ALDH1A1 (0.35) ALDH1A1POLBACHEGABRA1L3MBTL1
SCHEMBL5996310 0.73 KMT2A (0.41) ALDH1A1RAB9AHPGDTSHRPOLB
SCHEMBL5996153 0.73 KMT2A (0.35) ALDH1A1HPGDPOLBGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 US disclosed
US-20030139485-A1 Photoinitiators WOLF JEAN-PIERRE (CH) 2003-07-24 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-20030139485-A1 Photoinitiators DHCR24, NR1I3, CBR1 HTR1D 412/4885HTR1B 946/4885RXRB 550/4885

“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.