SCHEMBL26745662

SCHEMBL26745662

Cc1ccc2c(c1)cc(C(C)C)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP2A6 P11509 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL20465149 0.85 MAPT (0.47) RXFP1MAPTCYP2A6CYP1A2THRB
SCHEMBL13677550 0.85 MAPT (0.46) RXFP1MAPTCYP2A6CYP1A2MEN1
SCHEMBL21730433 0.81 LMNA (0.35) LMNAKDM4EALDH1A1
SCHEMBL21730446 0.79 KDM4E (0.33) RXFP1MAPTKMT2AKDM4EALDH1A1
SCHEMBL11965203 0.79 KDM4E (0.56) CYP2A6CYP1A2MEN1KMT2ALMNA
SCHEMBL19531646 0.77 ALDH1A1 (0.58) MAPTCYP2A6CYP1A2MEN1KMT2A
SCHEMBL13365035 0.76 KMT2A (0.39) RXFP1MAPTCYP2A6CYP1A2THRB
SCHEMBL9887744 0.76 KMT2A (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5985980 0.75 MAPT (0.57) RXFP1MAPTCYP2A6CYP1A2THRB
SCHEMBL29769204 0.75 MAPT (0.57) RXFP1MAPTCYP2A6CYP1A2THRB

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-11807626-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2023-11-07 — — 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-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A RXFP1 105/4885MAPT 3837/4885CYP2A6 1632/4885

“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.

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