SCHEMBL7200075

SCHEMBL7200075

C#CC(O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TYR P14679 1/20 0.43
NR1H4 Q96RI1 2/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
SRD5A2 P31213 1/20 0.38
FFAR1 O14842 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HDAC1 Q13547 1/20 0.35
KIF11 P52732 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
GRIA4 P48058 2/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL29184903 0.82 ESR1 (0.46) TSHRESR1ESR2
SCHEMBL7206400 0.79 CES2 (0.47) TSHRALDH1A1SRD5A2FFAR1AKR1C3
SCHEMBL1199765 0.79 TSHR (0.54) LMNATYRNR1H4TSHRALDH1A1
SCHEMBL7924991 0.77 HDAC8 (0.41) TSHRALDH1A1HSD17B10FFAR1KIF11
SCHEMBL7199129 0.76 CHRNA7 (0.39) LMNATSHRALDH1A1SRD5A2FFAR1
SCHEMBL7203087 0.76 TYR (0.40) LMNATYRALDH1A1ESR1ESR2
SCHEMBL3586191 0.75 LMNA (0.52) LMNATYRNR1H4TSHRALDH1A1
SCHEMBL20752299 0.75 LMNA (0.52) LMNATYRNR1H4TSHRALDH1A1
SCHEMBL3692155 0.75 LMNA (0.52) LMNATYRNR1H4TSHRALDH1A1
SCHEMBL10708786 0.75 LMNA (0.52) LMNATYRNR1H4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 WO disclosed
EP-0360091-B1 PROCESS FOR THE PREPARATION OF ALKYL-SUBSTITUTED CINNAMIC ALDEHYDES BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
EP-0360091-A2 Process for the preparation of alkyl-substituted cinnamic aldehydes BASF Aktiengesellschaft (DE) 1990-03-28 EP 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-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC LMNA 1857/4885TYR 1217/4885NR1H4 3941/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC LMNA 1857/4885TYR 1217/4885NR1H4 3941/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 LMNA 4048/4885TYR 789/4885NR1H4 731/4885

“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.