SCHEMBL18630264

SCHEMBL18630264

NCC(=O)OC1CCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
NAAA Q02083 2/20 0.52
HTT P42858 1/20 0.50
CYP19A1 P11511 2/20 0.47
EPHX1 P07099 2/20 0.47
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
STS P08842 3/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
MIF P14174 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18186688 1.00 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL23813782 1.00 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL75532 1.00 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL23813855 1.00 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL16439887 0.98 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
Hydrochloric Acid SCHEMBL7309555 0.98 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL16439874 0.98 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL16439937 0.98 CYP2C19 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL1020070 0.98 NAAA (0.50) CYP2C19NAAAHTTCYP19A1EPHX1
Hydrochloric Acid SCHEMBL7309629 0.95 NAAA (0.48) CYP2C19NAAAHTTCYP19A1EPHX1

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-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 US disclosed
US-20210283125-A1 CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF FORTVITA BIOLOGICS LIMITED (CN) 2021-09-16 US disclosed
CN-106061942-B Novel CYP-eicosanoid derivatives 分子医学马克斯德尔布吕克中心 2019-11-15 CN disclosed
CN-110072883-A The relevant peptide of therapeutic MOTS-C 科巴公司 2019-07-30 CN disclosed
EP-3252066-B1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2019-05-22 EP disclosed
US-20190100541-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER MEDIVIR AB (SE) 2019-04-04 US disclosed
CN-109562083-A CYP-eicosanoid analogs for treatment or prevention of diseases associated with neovascularization and/or inflammation 奥迈科斯治疗公司 2019-04-02 CN disclosed
CN-108349880-A The steady analog of CYP eicosanoid metabolics for treating heart disease 奥迈科斯治疗公司 2018-07-31 CN disclosed
CN-105007990-B The purposes of cosmetic composition from fish artemia hatching solution, its production method and its aesthetic appearance for being used to improving skin 阿克生物科技公司 2018-04-06 CN disclosed
EP-3252066-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2017-12-06 EP disclosed
EP-3041855-B1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2017-07-26 EP disclosed
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 US disclosed
CN-1330712-A Biogical compositions, components thereof and uses therefor MELBOURNE HEALCH CARE LTD (AU) 2002-01-09 CN disclosed
CN-1289341-A Thrombin inhibitors BASF AG (DE) 2001-03-28 CN disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN disclosed
CN-1173872-A Thrombin inhibitors BASF AG (DE) 1998-02-18 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 (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-20210283125-A1 CAMPTOTHECIN DERIVATIVES AND CONJUGATES THEREOF TOP2A, TOP1, XPA CYP2C19 1974/4885NAAA 2234/4885HTT 1033/4885
US-12029736-B2 Camptothecin derivatives and conjugates thereof TOP2A, TOP1, XPA CYP2C19 1974/4885NAAA 2234/4885HTT 1033/4885
US-20190100541-A1 DIOXOLANE ANALOGUES OF URIDINE FOR THE TREATMENT OF CANCER ADORA3, DUT, NT5C CYP2C19 1112/4885NAAA 4031/4885HTT 3787/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 CYP2C19 4355/4885NAAA 115/4885HTT 2789/4885

“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.