SCHEMBL19600462

SCHEMBL19600462

CCCNc1ccc(COC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
SCN5A Q14524 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 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
SCHEMBL15445359 0.89 ALDH1A1 (0.41) ALDH1A1CYP3A4KMT2AMEN1MAPT
SCHEMBL11477434 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL11491096 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL11479562 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4KMT2AMEN1KDM4E
Bromide SCHEMBL11482043 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1KDM4E
Bromide SCHEMBL11476767 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL15499765 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4KMT2AMEN1MAPT
SCHEMBL15242393 0.84 SCN5A (0.47) ALDH1A1CYP3A4KMT2AMEN1MAPT
Alcohol SCHEMBL11482040 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4KMT2AMEN1KDM4E
Alcohol SCHEMBL11476757 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4KMT2AMEN1KDM4E

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
WO-2023178289-A2 CAMPTOTHECIN CONJUGATES SEAGEN INC. (US) 2023-09-21 WO disclosed
US-20230192858-A1 ANTI-CTLA4 Antibodies, Antibody Fragments, Their Immunoconjugates and Uses Thereof BIOATLA, INC. (US) 2023-06-22 US disclosed
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed
US-20180169259-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES GENENTECH INC. (US) 2018-06-21 US disclosed
US-20180015179-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC. (US) 2018-01-18 US disclosed
US-20170326248-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES GENENTECH, INC (US) 2017-11-16 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 (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-20170326248-A1 ANTI-CD22 ANTIBODIES AND IMMUNOCONJUGATES CD22, CD2, CD2BP2 ALDH1A1 260/4885CYP3A4 2266/4885KMT2A 2029/4885
US-20230192858-A1 ANTI-CTLA4 Antibodies, Antibody Fragments, Their Immunoconjugates and Uses Thereof CD274, IGLV6-57, PDCD1LG2 ALDH1A1 4133/4885CYP3A4 4470/4885KMT2A 3302/4885
US-20180169259-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES CD79B, CD99, CD47 ALDH1A1 2396/4885CYP3A4 4743/4885KMT2A 1293/4885
US-20180015179-A1 ANTI-CD79B ANTIBODIES AND IMMUNOCONJUGATES CD79B, CD99, CD47 ALDH1A1 2396/4885CYP3A4 4743/4885KMT2A 1293/4885

“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.