SCHEMBL6841774

SCHEMBL6841774

COC(=O)c1ccc(C=C(C#N)C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.59
▸ MAPT P10636 9/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ LMNA P02545 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NFKB2 Q00653 1/20 0.57

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
SCHEMBL10466283 0.85 NPC1 (0.64) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL10413988 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL13485342 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL24711012 0.83 MAPT (0.59) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL9360685 0.82 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ENPSR1CYP3A4
SCHEMBL9360681 0.82 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ENPSR1CYP3A4
SCHEMBL8112746 0.81 P4HB (0.50) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL9967743 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL6799049 0.80 ESR1 (0.71) ALDH1A1MAPTKDM4ENPSR1NFKB1
SCHEMBL6799046 0.80 ESR1 (0.71) ALDH1A1MAPTKDM4ENPSR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240219834-A1 METHOD FOR FORMING A RESIST PATTERN NISSAN CHEMICAL CORPORATION (JP) 2024-07-04 — — US disclosed
US-20240219834-A1 METHOD FOR FORMING A RESIST PATTERN NISSAN CHEMICAL CORPORATION (JP) 2024-07-04 — — US disclosed
US-20220397828-A1 COMPOSITION CONTAINING A DICYANOSTYRYL GROUP, FOR FORMING A RESIST UNDERLAYER FILM CAPABLE OF BEING WET ETCHED NISSAN CHEMICAL CORPORATION (JP) 2022-12-15 — — US disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 — — CN disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 — — US disclosed
US-4184871-A A,B-UNSATURATED NITRILE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1980-01-22 — — 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 (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-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 ALDH1A1 867/4885MAPT 4249/4885KDM4E 760/4885

“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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