SCHEMBL23574937

SCHEMBL23574937

CC(C)(C)c1ccc(C2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ DGAT1 O75907 2/20 0.44
▸ SOAT1 P35610 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL23574936 1.00 RAB9A (0.60) RAB9ANPC1AKR1C3AKR1C1PDE4A
SCHEMBL23575248 1.00 RAB9A (0.60) RAB9ANPC1AKR1C3AKR1C1PDE4A
SCHEMBL13008796 0.90 AKR1C3 (0.65) RAB9ANPC1AKR1C3AKR1C1PDE4A
SCHEMBL10690266 0.84 AKR1C3 (0.47) RAB9ANPC1AKR1C3AKR1C1SLC6A2
SCHEMBL628247 0.83 TSHR (0.46) SLC6A2ALDH1A1LIPELMNAMAPT
SCHEMBL23605146 0.82 SLC6A2 (0.56) RAB9ANPC1SLC6A2MEN1KMT2A
SCHEMBL30389049 0.82 SLC6A2 (0.56) RAB9ANPC1SLC6A2MEN1KMT2A
SCHEMBL30389265 0.82 SLC6A2 (0.56) RAB9ANPC1SLC6A2MEN1KMT2A
SCHEMBL9442414 0.80 NPC1 (0.66) RAB9ANPC1AKR1C3AKR1C1PDE4A
SCHEMBL9442430 0.80 NPC1 (0.66) RAB9ANPC1AKR1C3AKR1C1PDE4A

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 5 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
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

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

For each of this compound's patents that has machine-readable text (2 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 RAB9A 2372/4885NPC1 1905/4885AKR1C3 4185/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RAB9A 2372/4885NPC1 1905/4885AKR1C3 4185/4885

“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.

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