SCHEMBL3501723

SCHEMBL3501723

O=C1CCCc2ccc(OCc3ccccc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 20/20 1.00
MAOA P21397 19/20 1.00
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
GRM5 P41594 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL30067289 1.00 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL7215662 0.97 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2524800 0.91 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30353268 0.91 MAOB (0.84) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL7218099 0.91 MAOB (0.82) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL226640 0.89 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL6309072 0.86 MAOB (1.00) MAOBMAOA
SCHEMBL7184607 0.86 MAOA (0.76) MAOBMAOANPC1RAB9A
SCHEMBL15414670 0.86 MAOB (0.81) MAOBMAOA
SCHEMBL3451690 0.86 MAOB (0.94) MAOBMAOANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122074043-A Combination therapy with KRAS modulators 光达治疗公司 2026-05-22 CN disclosed
CN-122059824-A Synthesis method of ilalastyl chiral intermediate 上海格苓凯生物科技有限公司 2026-05-19 CN disclosed
US-12624052-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
US-20250042921-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2025-02-06 US disclosed
EP-4475956-A1 KRAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2024-12-18 EP disclosed
CN-119110804-A KRAS modulators and uses thereof 光达治疗公司 2024-12-10 CN disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed
EP-0606661-B1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
US-5504104-A TREATING INFECTIONS OR DISEASES CAUSED BY RETROVIRUSES, SUCH AS HIV AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-02 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 US disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 WO disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 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 (4 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-20250042921-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS MAOB 4870/4885MAOA 4881/4885NPC1 3122/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS MAOB 4875/4885MAOA 4885/4885NPC1 3193/4885
US-12624052-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS MAOB 4747/4885MAOA 4851/4885NPC1 1014/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS MAOB 4875/4885MAOA 4885/4885NPC1 3193/4885

“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.