SCHEMBL16713045

SCHEMBL16713045

Cc1c(Cl)ccc(C(=O)O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
ADRA2A P08913 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MT-CO2 P00403 1/20 0.44
TTR P02766 1/20 0.44
PLA2G1B P04054 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 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
SCHEMBL3662281 0.84 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1TSHR
SCHEMBL31636377 0.84 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1TSHR
SCHEMBL11801596 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL27544752 0.81 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1ALDH1A1TSHR
SCHEMBL29972294 0.80 ABL1 (0.47) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL8997789 0.79 TSHR (0.52) CSNK2A2CSNK2BCSNK2A1ALDH1A1TSHR
SCHEMBL11285953 0.79 NCEH1 (0.44) ALDH1A1TSHRLMNACYP1A2MEN1
SCHEMBL108571 0.79 TSHR (0.52) CSNK2A2CSNK2BCSNK2A1ALDH1A1TSHR
SCHEMBL5672329 0.79 CYP1A2 (0.42) CSNK2A1ALDH1A1TSHRCYP1A2HPGD
SCHEMBL3121271 0.78 CYP1A2 (0.41) CSNK2A1ALDH1A1TSHRCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356002-A Preparation process of impurities contained in expectorant drug bromhexine hydrochloride UNIV HEBEI MEDICAL 2015-02-18 CN claimed
EP-2952511-B1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE CHEIL IND INC (KR) 2021-01-27 EP disclosed
EP-2902463-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE, AND DISPLAY DEVICE CHEIL IND INC (KR) 2019-10-23 EP disclosed
CN-109843873-A Alkynes is for heterocyclic compound, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-06-04 CN disclosed
EP-3034581-B1 COMPOSITION AND ORGANIC OPTOELECTRONIC ELEMENT SAMSUNG SDI CO LTD (KR) 2018-04-04 EP disclosed
US-9653690-B2 Organic compound, organic optoelectronic device and display device SAMSUNG SDI CO., LTD. (KR) 2017-05-16 US disclosed
EP-3034581-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2016-06-22 EP disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20160133851-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-05-12 US disclosed
EP-2952511-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Cheil Industries Inc. (KR) 2015-12-09 EP disclosed
US-20150349270-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-12-03 US disclosed
CN-105051035-A Organic compound, organic optoelectronic device and display device CHEIL IND INC 2015-11-11 CN disclosed
EP-2902463-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE Cheil Industries Inc. (KR) 2015-08-05 EP disclosed
US-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-05-21 US disclosed
CN-104356002-A Preparation process of impurities contained in expectorant drug bromhexine hydrochloride UNIV HEBEI MEDICAL 2015-02-18 CN disclosed
CN-104039766-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD 2014-09-10 CN disclosed
CN-1301964-C Inhibitors of alpha 4-mediated cell adhesion TANABE SEIYAKU CO (JP) 2007-02-28 CN disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN 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-20150137111-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME, AND DISPLAY DEVICE INCLUDING SAID ORGANIC LIGHT-EMITTING DEVICE OR51E2, AOX1, OCIAD1 CSNK2A2 2850/4885CSNK2B 3252/4885CSNK2A1 2704/4885
US-20150349270-A1 ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OXER1, OR10J3 CSNK2A2 4162/4885CSNK2B 4148/4885CSNK2A1 3627/4885

“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.