SCHEMBL6046239

SCHEMBL6046239

Cc1ccc2cccc(C3=CC=CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
CCR1 P32246 1/20 0.44
RAB9A P51151 1/20 0.44
CCR5 P51681 1/20 0.44
PARP1 P09874 1/20 0.41
GLO1 Q04760 2/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SLC40A1 Q9NP59 2/20 0.35
AGTR1 P30556 1/20 0.35
PAX8 Q06710 1/20 0.35
MDM2 Q00987 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5696378 0.79 CCR1 (0.48) METAP2CCR1RAB9ACCR5GLO1
SCHEMBL2115749 0.78 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL9673747 0.73 ALDH1A1 (0.44) PARP1MEN1KMT2ACYP1A2TSHR
SCHEMBL27594921 0.70 METAP2 (0.53) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL5696379 0.70 SLC6A3 (0.41) RAB9ACYP1A2TDP1SMN1; SMN2TSHR
SCHEMBL28006187 0.70
SCHEMBL9268395 0.70 HPRT1 (0.48) RAB9AMEN1KMT2APAX8CYP1A2
SCHEMBL6242909 0.69 SLC6A3 (0.40) RAB9ACYP1A2TDP1SMN1; SMN2TSHR
SCHEMBL2116625 0.69 METAP2 (0.52) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL113609 0.68 TRPA1 (0.35) RAB9APARP1CYP1A2SMN1; SMN2TSHR

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-6995267-B2 Method for producing cyclopentadiene compounds BASELL POLYOLEFINE GMBH (DE) 2006-02-07 US disclosed
US-20040097749-A1 Method for producing cyclopentadiene compounds EQUISTAR CHEMICALS, LP 2004-05-20 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-20040097749-A1 Method for producing cyclopentadiene compounds DHPS, FDPS, CYCS METAP2 1558/4885CCR1 1925/4885RAB9A 3374/4885

“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.