SCHEMBL25451306

SCHEMBL25451306

CCCc1ccccc1Oc1cc(C#N)c(C#N)cc1Oc1ccccc1CCC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.60
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 7/20 0.49
SLC6A3 Q01959 6/20 0.49
HTR2A P28223 3/20 0.43
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL2202797 0.82 SLC6A2 (0.54) ARSLC6A4SLC6A2SLC6A3
SCHEMBL4163791 0.80 AR (0.64) ARSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL20510911 0.76 AR (0.44) ARSMN1; SMN2POLBGAA
SCHEMBL4101870 0.76 AR (0.44) ARSMN1; SMN2POLBGAA
SCHEMBL4171623 0.76 AR (1.00) AR
SCHEMBL3632404 0.75 TSHR (0.46) ARALDH1A1SMN1; SMN2GAA
SCHEMBL20510966 0.75 AR (0.60) ARSLC6A4HTR2AALDH1A1POLB
SCHEMBL18164415 0.74 SLC6A4 (0.49) ARSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL17060529 0.74 AR (0.46) ARSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3071329 0.73 ALDH1A1 (0.50) ARSLC6A4SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648545-B2 Transition metal-based heterogeneous carbonylation reaction catalyst and method for preparing lactone or succinic anhydride using catalyst KOOKMIN UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2023-05-16 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-11648545-B2 Transition metal-based heterogeneous carbonylation reaction catalyst and method for preparing lactone or succinic anhydride using catalyst OGDH, CA12, COASY AR 1791/4885SLC6A4 4660/4885SLC6A2 4857/4885

“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.