SCHEMBL2018625

SCHEMBL2018625

Cc1[c]c(C)c(-c2ccccc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 3/20 0.34
AKT2 P31751 2/20 0.34
CHEK1 O14757 1/20 0.34
BRD2 P25440 1/20 0.34
ESR2 Q92731 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL28062247 0.78 CYP2A6 (0.45) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5953671 0.77 TSHR (0.39) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL28176610 0.76 ADORA2A (0.34) MAPTBRD4AKT2CHEK1BRD2
SCHEMBL4322699 0.74 ALDH1A1 (0.33) MAPTAKT2ESR2ALDH1A1CYP2A6
SCHEMBL11487737 0.73 CYP1A2 (0.41) BRD4KMT2AALDH1A1KDM4EMEN1
SCHEMBL9453784 0.73 MAPT (0.40) MAPTLMNAHTTBRD4AKT2
SCHEMBL20873646 0.72 MAPT (0.43) MAPTLMNAHTTBRD4AKT2
SCHEMBL317298 0.71 RAPGEF4 (0.33)
SCHEMBL8763856 0.71 DHFR (0.37) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL1133458 0.70 PSMB5 (0.46) MAPTLMNAHTTBRD4AKT2

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
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
US-8871877-B2 Hybrid organic-inorganic materials that contain stabilized carbene UNIVERSITE CLAUDE BERNARD LYON 1 (UCBL) (FR) 2014-10-28 US disclosed
US-20110160412-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE UNIVERSITE CLAUDE BERNARD LYON 2011-06-30 US disclosed
WO-2009092814-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE CPE LYON FORMATION CONTINUE ET RECHERCHE (FR) 2009-07-30 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 (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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 MAPT 4797/4885LMNA 1498/4885HTT 4786/4885
US-20110160412-A1 HYBRID ORGANIC-INORGANIC MATERIALS THAT CONTAIN STABILIZED CARBENE VIM, OSTC, ORC3 MAPT 978/4885LMNA 4458/4885HTT 817/4885

“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.