SCHEMBL217601

SCHEMBL217601

[CH2]Cc1ccc(OC)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.68
ALDH1A1 P00352 3/20 0.62
PPARG P37231 1/20 0.62
PPARD Q03181 1/20 0.62
PPARA Q07869 1/20 0.62
ATM Q13315 2/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 2/20 0.55
CYP19A1 P11511 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
AOC3 Q16853 1/20 0.52
LDHA P00338 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
STAT3 P40763 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2125045 0.86 CALM1 (0.61) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL11030247 0.86 CALM1 (0.53) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL7791117 0.85 SMN1; SMN2 (0.50) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL839475 0.83 ATM (0.66) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL28220576 0.83 CRHBP (0.50) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL1486318 0.82 CA2 (0.68) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL9461156 0.82 ALDH1A1 (0.58) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL7791111 0.82 ALDH1A1 (0.52) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL7791820 0.82 MEN1 (0.51) CA2ALDH1A1PPARAKDM4ECYP1A2
SCHEMBL7400462 0.82 CA2 (0.47) CA2ALDH1A1PPARGPPARDPPARA

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 1392 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-06-27 US claimed
WO-2024052356-A1 INHIBITORS OF THE CERAMIDE METABOLIC PATHWAY FOR OVERCOMING IMMUNOTHERAPY RESISTANCE IN CANCER Institut National de la Santé et de la Recherche Médicale (FR) 2024-03-14 WO claimed
WO-2022245951-A1 INHIBITORS OF CDR1 FOR REVERSAL OF AZOLE DRUG RESISTANCE IN FUNGAL INFECTIONS UNM RAINFOREST INNOVATIONS (US) 2022-11-24 WO claimed
CN-113768936-A Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2021-12-10 CN claimed
CN-113683615-A Evodiamine derivative and preparation and application thereof 南华大学 2021-11-23 CN claimed
CN-106674085-B Synthesis method of N-1, 3-difluoro isopropyl-4-aminopiperidine compound 苏州汉德创宏生化科技有限公司 2020-06-23 CN claimed
CN-110105245-A A kind of preparation method of Vernakalant intermediate 3,4- Dimethoxyphenethyl 2,2,2- tribromo-acetyl imines 北京哈三联科技有限责任公司 2019-08-09 CN claimed
CN-108822127-A 4- hydroxyl imido grpup thieno [2,3-b] thiapyran -2- Carbox amide and application thereof 沈阳药科大学 2018-11-16 CN claimed
EP-3050871-B1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF UNIV INDUSTRY COOPERATION GROUP KYUNG HEE UNIV (KR) 2018-11-07 EP claimed
CN-108586484-A Thieno thiapyran Carbox amide and its application 沈阳药科大学 2018-09-28 CN claimed
EP-0011483-A1 Azocine compounds suitable as analgesics, and process for their production GÖDECKE AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
EP-0008045-A1 (1,2)-Annellated 7-phenyl-1,4-benzodiazepine derivatives and salts thereof, processes for their preparation and medicaments containing them Kali-Chemie Pharma GmbH (DE) 1980-02-20 EP claimed
EP-0002792-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-11 EP claimed
US-4029650-A VASODILATORS DELALANDE S. A. (FR) 1977-06-14 US claimed
US-4024156-A Thiophene ethanolamines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-17 US claimed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US claimed
US-3982010-A Thiazole cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1976-09-21 US claimed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed
US-3936454-A ANTIANGINAL, BRONCHODILATOR WARNER-LAMBERT COMPANY (US) 1976-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections ABCC1, ABCC2, ERG28 CA2 1606/4885ALDH1A1 3934/4885PPARG 4078/4885

“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.