SCHEMBL3418753

SCHEMBL3418753

CC(C)Oc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
MYC P01106 1/20 0.46
NR4A1 P22736 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
RXRA P19793 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
SCHEMBL15935967 0.86 ALDH1A1 (0.71) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL2104774 0.84 PARP10 (0.56) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4081642 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2KDM4EPARP10
SCHEMBL1014886 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL6299310 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2PARP10JAK2
SCHEMBL22374225 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL22279456 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL25946860 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRCASP1SMN1; SMN2
SCHEMBL10477056 0.82 KDM4E (0.67) ALDH1A1TSHRCASP1SMN1; SMN2MAPT
SCHEMBL295414 0.81 SMN1; SMN2 (0.57) ALDH1A1KMT2ATSHRCASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
CN-109956912-A Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl 中国医学科学院药物研究所 2019-07-02 CN disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 US disclosed
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD ALDH1A1 1662/4885KMT2A 1549/4885TSHR 219/4885
US-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 ALDH1A1 1736/4885KMT2A 2212/4885TSHR 724/4885
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR ALDH1A1 1626/4885KMT2A 2276/4885TSHR 322/4885

“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.