SCHEMBL21886493

SCHEMBL21886493

O=C(OCc1ccccc1)C1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.48
FKBP1A P62942 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL26048629 1.00 ALDH1A1 (0.52) ALDH1A1TSHRFKBP1AKDM4EHSD17B10
SCHEMBL7261536 0.95 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EHSD17B10CYP1A2
SCHEMBL9525416 0.92 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EHSD17B10CYP1A2
SCHEMBL19830987 0.91 TSHR (0.49) ALDH1A1TSHRFKBP1AFABP7FABP5
SCHEMBL28349165 0.86 TSHR (0.46) ALDH1A1TSHRFKBP1AFABP7FABP5
SCHEMBL28117364 0.81 TSHR (0.47) ALDH1A1TSHRFKBP1AFABP7FABP5
SCHEMBL19749101 0.81 ALDH1A1 (0.52) ALDH1A1TSHRFABP7FABP5
SCHEMBL29433900 0.81 ALDH1A1 (0.52) ALDH1A1TSHRFABP7FABP5
SCHEMBL16648788 0.81 ALDH1A1 (0.52) ALDH1A1TSHRFABP7FABP5
Bicarbonate SCHEMBL29739771 0.80 ALDH1A1 (0.50) ALDH1A1TSHRFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008362-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-01-12 US disclosed
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
US-11053209-B2 Highly efficient synthesis of z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-07-06 US disclosed
US-20200102285-A1 A HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYLCES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-04-02 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-20230008362-A1 COMBINATIONS WEE2, WEE1, BCL2 ALDH1A1 2217/4885TSHR 4017/4885FKBP1A 287/4885
US-20200102285-A1 A HIGHLY EFFICIENT SYNTHESIS OF Z-MACROCYLCES USING STEREORETENTIVE, RUTHENIUM-BASED METATHESIS CATALYSTS ZKSCAN2, ZYX, ZC3H18 ALDH1A1 4314/4885TSHR 1178/4885FKBP1A 1068/4885
US-11053209-B2 Highly efficient synthesis of z-macrocycles using stereoretentive, ruthenium-based metathesis catalysts ZKSCAN2, ZYX, SPR ALDH1A1 4142/4885TSHR 1135/4885FKBP1A 1164/4885

“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.