SCHEMBL301401

SCHEMBL301401

CC1CCCC1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.43
SLC6A11 P48066 5/20 0.43
SLC6A13 Q9NSD5 5/20 0.43
USP2 O75604 1/20 0.36
EPHX1 P07099 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CDC25A P30304 1/20 0.34
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL21510225 1.00 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13USP2EPHX1
SCHEMBL19513333 0.95 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13USP2EPHX1
SCHEMBL3276937 0.95 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13USP2EPHX1
SCHEMBL9764134 0.93 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13USP2EPHX1
SCHEMBL4634265 0.83 ANPEP (0.37) SLC6A12SLC6A11SLC6A13USP2EPHX1
SCHEMBL11051978 0.83 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL14571159 0.82 EPHX1 (0.40) EPHX1L3MBTL1CA1CA2CA4
SCHEMBL29211200 0.81 SLC1A2 (0.36) SLC6A12SLC6A11SLC6A13CDC25ACYP1A2
SCHEMBL10489468 0.79 EPHX1 (0.41) USP2EPHX1L3MBTL1CA1CA2
SCHEMBL8342817 0.78 FOLH1 (0.37) USP2EPHX1CYP1A2L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108473518-B Bisphosphonic acid compounds 株式会社富士药品 2021-07-06 CN disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
CN-108473518-A New double phosphinic acid compounds 株式会社富士药品 2018-08-31 CN disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
CN-103068807-B By using the preparation method of phenyl substituted heterocycle derivative of coupling process of palladium compound TEIJIN PHARMA LTD. (JP) 2016-05-25 CN disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
CN-102333765-B Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LTD 2015-01-14 CN disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
CN-103068807-A Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using a palladium compound TEIJIN PHARMA LTD 2013-04-24 CN disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 SLC6A12 1390/4885SLC6A11 2241/4885SLC6A13 2061/4885
US-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 SLC6A12 859/4885SLC6A11 124/4885SLC6A13 220/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH SLC6A12 2117/4885SLC6A11 2271/4885SLC6A13 2648/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 SLC6A12 866/4885SLC6A11 135/4885SLC6A13 229/4885

“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.