SCHEMBL354834

SCHEMBL354834

O=CC(Oc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 14/20 0.42
PPARA Q07869 12/20 0.42
CYP2D6 P10635 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
LDHA P00338 1/20 0.38

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
SCHEMBL9016553 0.84 LDHA (0.40) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL29957366 0.84 MTNR1A (0.45) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1877273 0.82 PPARG (0.51) PPARGPPARA
SCHEMBL9578330 0.82 PPARG (0.45) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5556068 0.82 CYP2C19 (0.42) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL27650314 0.79 CYP1A2 (0.40) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4582830 0.79 GAA (0.43) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL27363641 0.78 TDP1 (0.49) MTNR1AMTNR1BTSHR
SCHEMBL1933913 0.78 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11322441 0.78 CYP1A2 (0.53) CYP1A2GAACYP2C9PKMCYP2C19

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630888-B1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE MAEDA HIROSHI (JP) 2001-04-04 EP claimed
EP-0630888-A1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE Maeda, Hiroshi (JP) 1994-12-28 EP claimed
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
US-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES MAVERIX ONCOLOGY, INC. 2021-12-09 US disclosed
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. 2021-02-11 US disclosed
CN-112135634-A Small molecule drug conjugate of gemcitabine monophosphate 马福瑞克斯肿瘤学股份有限公司 2020-12-25 CN disclosed
CN-112135635-A Novel small molecule drug conjugate of gemcitabine derivative 马福瑞克斯肿瘤学股份有限公司 2020-12-25 CN disclosed
EP-3746134-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. (US) 2020-12-09 EP disclosed
EP-3746133-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES MAVERIX ONCOLOGY, INC. (US) 2020-12-09 EP disclosed
WO-2019152955-A9 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2020-08-13 WO disclosed
WO-2019152955-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE EVERETT STEVEN ALBERT (US) 2019-08-08 WO disclosed
US-5279927-A Mixture of solvent, anionic surfactant, acid and buffer EASTMAN KODAK COMPANY (US) 1994-01-18 US disclosed
US-5275907-A Diazo resin, acetal polymer and copolyester with unsaturated diacid and oxyalkylene ether of alkylidene diphenol EASTMAN KODAK COMPANY (US) 1994-01-04 US disclosed
US-5219699-A Diazo resin, binder of a vinyl alcohol polymer acetalized with three different aldehydes EASTMAN KODAK COMPANY (US) 1993-06-15 US disclosed
WO-1993003068-A1 ACID-SUBSTITUTED TERNARY ACETAL POLYMERS AND USE THEREOF IN PHOTOSENSITIVE COMPOSITIONS AND LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1993-02-18 WO disclosed
US-5169898-A Acid-substituted ternary acetal polymers useful in photosensitive compositions and lithographic printing plates EASTMAN KODAK COMPANY (US) 1992-12-08 US disclosed
US-4291060-A Compounds derived from formylphenoxyacetic acid as antiviral agents in animals PFIZER INC. (US) 1981-09-22 US disclosed
US-4291060-A Compounds derived from formylphenoxyacetic acid as antiviral agents in animals PFIZER INC. (US) 1981-09-22 US disclosed
US-4291060-A Compounds derived from formylphenoxyacetic acid as antiviral agents in animals PFIZER INC. (US) 1981-09-22 US disclosed
US-4226765-A Novel rifamycin compounds of high antibiotic activity ARCHIFAR INDUSTRIE CHIMICHE DEL TRENTINO S.P.A. (IT) 1980-10-07 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 (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-20210380626-A1 NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES ZYX, KRAS, SLC7A5 CYP1A2 4659/4885GAA 591/4885CYP2C9 4255/4885
US-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS CYP1A2 4572/4885GAA 522/4885CYP2C9 3696/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS CYP1A2 4551/4885GAA 509/4885CYP2C9 3666/4885

“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.