SCHEMBL21538

SCHEMBL21538

[c]1ccc(C2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.42
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B2 P19099 1/20 0.39
ESR1 P03372 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC18A3 Q16572 2/20 0.37
NOTUM Q6P988 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL676555 0.97 CYP11B2 (0.42) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL2911926 0.97 CYP11B2 (0.42) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL22833 0.97 CYP11B2 (0.42) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL5543159 0.97 CYP11B2 (0.42) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL27452122 0.95 CYP11B2 (0.41) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL43455 0.95 ESR2 (0.47) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL22929 0.92
SCHEMBL6578876 0.92 POLB (0.46) ESR2POLBESR1CYP3A4CYP2D6
Fluoromethane SCHEMBL28164137 0.91 CYP11B2 (0.38) ESR2POLBHDAC1HDAC8HDAC6
SCHEMBL29099563 0.89 CYP11B2 (0.37) ESR2POLBHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
CN-115707712-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-02-21 CN claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
CN-115466290-A Narrow-spectrum green phosphorescent platinum complex, preparation method and application thereof, and organic light-emitting diode device 中国石油化工股份有限公司 2022-12-13 CN claimed
WO-1996006606-A1 DIHYDRO-2,3-BENZODIAZEPINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-03-07 WO claimed
CN-1108240-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1995-09-13 CN claimed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP claimed
EP-0103095-B1 DICHROIC MATERIAL CONTAINING ANTHRAQUINONE DYES BAYER AG (DE) 1990-08-29 EP claimed
EP-0069385-B1 USE OF EUCALYPTOL FOR ENHANCING SKIN PERMEATION OF BIOAFFECTING AGENTS MERCK & CO. INC. (US) 1987-10-14 EP claimed
EP-0103095-A2 Dichroic material containing anthraquinone dyes BAYER AG (DE) 1984-03-21 EP claimed
US-4363808-A N-(3-Phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1982-12-14 US claimed
EP-0034116-A2 N-(3-phenoxy-2-hydroxypropyl)benzimidazole-1-alkanamines BERLEX LABORATORIES, INC. (US) 1981-08-19 EP claimed
US-4089972-A Organotin sulfinates as insecticides and acaricides UNIROYAL, INC. (US) 1978-05-16 US claimed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ESR2 937/4885POLB 1569/4885HDAC1 870/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 ESR2 470/4885POLB 1311/4885HDAC1 43/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ESR2 1193/4885POLB 1991/4885HDAC1 734/4885

“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.