SCHEMBL13686641

SCHEMBL13686641

CC(C)(C)C(=O)OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
NR4A2 P43354 2/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
NAAA Q02083 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NR2F2 P24468 1/20 0.48
MAPT P10636 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
APP P05067 1/20 0.45
ELANE P08246 1/20 0.44
ESRRG P62508 1/20 0.44

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
SCHEMBL27305897 0.90 ELANE (0.52) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL13544377 0.86 L3MBTL1 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1788828 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL17803839 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1ELANELMNA
SCHEMBL24885646 0.84 MEN1 (0.50) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL14867070 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL28322756 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL2092731 0.83 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL859603 0.83 MAOB (0.49) RAB9AL3MBTL1NPC1NAAAALDH1A1
SCHEMBL20590261 0.83 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-10-19 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 US disclosed
US-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 US disclosed
US-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 US disclosed
US-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 US disclosed
US-11559558-B2 Weekly dosing regimens for anti-CD30 vc-PAB-MMAE antibody drug-conjugates SEAGEN INC. (US) 2023-01-24 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (7 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL SMN1; SMN2 2081/4885MEN1 6/4885KMT2A 3583/4885
US-20230331738-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL SMN1; SMN2 2081/4885MEN1 6/4885KMT2A 3583/4885
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS SMN1; SMN2 2409/4885MEN1 613/4885KMT2A 1013/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885MEN1 493/4885KMT2A 945/4885
US-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL SMN1; SMN2 2081/4885MEN1 6/4885KMT2A 3583/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS SMN1; SMN2 2409/4885MEN1 613/4885KMT2A 1013/4885
US-11559558-B2 Weekly dosing regimens for anti-CD30 vc-PAB-MMAE antibody drug-conjugates CD44, PABPC1, CD47 SMN1; SMN2 1009/4885MEN1 875/4885KMT2A 1377/4885

“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.