SCHEMBL5425580

SCHEMBL5425580

O=C(OCc1ccccc1)[C@@H]1CCC[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
FKBP1A P62942 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL2406746 1.00 TSHR (0.51) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25642133 1.00 TSHR (0.51) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26696686 1.00 TSHR (0.51) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5425578 1.00 TSHR (0.51) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8171037 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18806518 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2299970 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26255812 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2299968 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15709940 0.91 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20230078576-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-03-16 US disclosed
EP-1805316-B1 PROCESS FOR THE PREPARATION OF THE ENANTIOMERIC FORMS OF CIS-3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES EMPLOYING HYDROLASES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-15 EP disclosed
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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 (4 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885SMN1; SMN2 2080/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885SMN1; SMN2 2080/4885
US-20230078576-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885SMN1; SMN2 2080/4885
US-20070197788-A1 METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES CES1, COASY, CYP51A1 TSHR 3448/4885ALDH1A1 304/4885SMN1; SMN2 3719/4885

“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.