SCHEMBL27219376

SCHEMBL27219376

CCOC(=O)c1ccccc1C1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PTK2B Q14289 1/20 0.41

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
SCHEMBL15019745 0.79 TSHR (0.61) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL16752384 0.78 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3585587 0.78 TSHR (0.56) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1790478 0.77 TSHR (0.59) TSHRALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL28428947 0.76 TSHR (0.57) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL13163361 0.76 TSHR (0.53) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL5968286 0.76 CREBBP (0.45) KDM4EMAPTCNR2CREBBP
SCHEMBL3662969 0.75 CYP19A1 (0.52) ALDH1A1MAPTKMT2AHPGDCYP1A2
SCHEMBL15049370 0.74 TSHR (0.48) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL28566543 0.74 TSHR (0.59) TSHRALDH1A1HSD17B10KDM4EMAPT

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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 — — US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 — — 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 (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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC TSHR 2345/4885ALDH1A1 319/4885HSD17B10 481/4885

“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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