SCHEMBL27002019

SCHEMBL27002019

COc1ccc(CSc2c(OC)cc(C=O)cc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ APP P05067 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL11093194 0.76 ALDH1A1 (0.48) ALDH1A1TDP1LMNATSHRFDPS
SCHEMBL31511202 0.72 APP (0.40) ALDH1A1NPC1RAB9ALMNAMMP13
SCHEMBL13402421 0.72 TUBB1 (0.46) ALDH1A1LMNAMMP13APPMAOB
SCHEMBL11584615 0.72 ALDH1A1 (0.48) ALDH1A1TDP1LMNATSHRFDPS
Anisaldehyde SCHEMBL9484986 0.71 TUBB1 (0.69) ALDH1A1CYP2A6TDP1TSHRCYP1A2
SCHEMBL26936576 0.71 ALDH1A1 (0.57) ALDH1A1CYP2A6TDP1LMNATSHR
SCHEMBL27002006 0.71 ALDH1A1 (0.43) ALDH1A1TDP1TSHRFDPSCYP3A4
SCHEMBL2699064 0.71 ALDH1A1 (0.66) ALDH1A1TDP1NPC1RAB9ALMNA
SCHEMBL3397230 0.71 PDCD1 (0.67) ALDH1A1CYP2A6TDP1NPC1RAB9A
SCHEMBL7818774 0.70 ALDH1A1 (0.53) ALDH1A1CYP2A6TDP1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 — — US disclosed
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — WO 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 (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-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C ALDH1A1 1077/4885CYP2A6 135/4885TDP1 571/4885

“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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