SCHEMBL9541542

SCHEMBL9541542

C=CCC(C)(C)OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL18378114 0.86 ALDH1A1 (0.31) ALDH1A1TSHRMAPT
SCHEMBL9541538 0.84 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL5804465 0.84 GAA (0.41) ALDH1A1TSHRMAPT
SCHEMBL9860291 0.82 HCAR2 (0.33) ALDH1A1MAPT
SCHEMBL11602378 0.82 HTT (0.35) HTTALDH1A1TSHR
SCHEMBL9861013 0.82 HCAR2 (0.33) ALDH1A1MAPT
SCHEMBL3666505 0.82 TSHR (0.38) ALDH1A1TSHRTHRB
SCHEMBL6420646 0.81 ALDH1A1 (0.35) HTTALDH1A1TSHRMAPT
SCHEMBL9861015 0.80 HCAR2 (0.42) ALDH1A1TSHRMAPT
SCHEMBL9860300 0.80 HCAR2 (0.42) ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 EP disclosed
CN-112888438-A Prodrugs of CGRP antagonists 拜尔哈文制药股份有限公司 2021-06-01 CN disclosed
US-10854451-B2 Superplanarizing spin-on carbon materials BREWER SCIENCE, INC. (US) 2020-12-01 US disclosed
EP-3311393-A1 SUPERPLANARIZING SPIN-ON CARBON MATERIALS Brewer Science, Inc. (US) 2018-04-25 EP disclosed
US-20160372326-A1 SUPERPLANARIZING SPIN-ON CARBON MATERIALS BREWER SCIENCE INC. 2016-12-22 US disclosed
CN-1216064-C Process for preparing 6-o-alkenyl-substituted erythromycin derivatives ABBOTT LAB (US) 2005-08-24 CN disclosed
CN-1379780-A Process for preparing 6-o-alkenyl-substituted erythromycin derivatives ABBOTT LAB (US) 2002-11-13 CN disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 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 (2 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB HTT 3835/4885ALDH1A1 1757/4885TSHR 1421/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB HTT 3835/4885ALDH1A1 1757/4885TSHR 1421/4885

“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.