SCHEMBL6900778

SCHEMBL6900778

CCc1cc(CC)c(CC)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTRC Q99895 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL22789194 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4305603 0.75 NQO1 (0.40) POLBTDP1L3MBTL1CTRCATM
SCHEMBL22789301 0.73
SCHEMBL5158885 0.73
SCHEMBL22775108 0.72 GLA (0.45) POLBTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL31265930 0.72 KDM4E (0.36) POLBTDP1L3MBTL1CTRCKDM4E
SCHEMBL31266031 0.72 KDM4E (0.36) POLBTDP1L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22774380 0.71
SCHEMBL5161464 0.71
SCHEMBL10525390 0.71 POLB (0.35) POLBTDP1L3MBTL1ATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359382-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS Chevron Phillips Chemical Company LP (US) 2024-05-01 EP disclosed
CN-117881658-A Two-step synthesis of pyrrole compounds from furan compounds 切弗朗菲利浦化学公司 2024-04-12 CN disclosed
US-11608317-B2 Two-step synthesis of pyrrole compounds from furan compounds CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2023-03-21 US disclosed
WO-2022197944-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-09-22 WO disclosed
US-20220298109-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS CHEVRON PHILLIPS CHEMICAL COMPANY LP 2022-09-22 US disclosed
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 POLB 4101/4885TDP1 2099/4885L3MBTL1 4668/4885
US-11608317-B2 Two-step synthesis of pyrrole compounds from furan compounds DDC, DHPS, ACMSD POLB 753/4885TDP1 3644/4885L3MBTL1 4870/4885
US-20220298109-A1 TWO-STEP SYNTHESIS OF PYRROLE COMPOUNDS FROM FURAN COMPOUNDS DDC, DHPS, ACMSD POLB 753/4885TDP1 3644/4885L3MBTL1 4870/4885

“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.