SCHEMBL10165844

SCHEMBL10165844

COc1ccc(CCCC(=O)C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.62
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 1/20 0.57
F2RL1 P55085 1/20 0.56
CALM1 P0DP23 1/20 0.54
POLB P06746 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL2735609 0.90 ALDH1A1 (0.64) ALOX5ALDH1A1KMT2AF2RL1POLB
SCHEMBL10416276 0.89 ALOX5 (0.60) ALOX5ALDH1A1KMT2AF2RL1CALM1
SCHEMBL28775909 0.85 ALOX5 (0.60) ALOX5ALDH1A1KMT2AF2RL1CALM1
SCHEMBL503646 0.81 ALOX5 (0.68) ALOX5ALDH1A1KMT2AF2RL1CALM1
SCHEMBL1105476 0.81 ALOX5 (0.68) ALOX5ALDH1A1F2RL1CALM1POLB
SCHEMBL659052 0.81 ALOX5 (0.68) ALOX5ALDH1A1KMT2AF2RL1CALM1
SCHEMBL22572494 0.81 PLAAT3 (0.48) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL31329290 0.81 ALOX5 (0.59) ALOX5ALDH1A1KMT2AF2RL1CALM1
SCHEMBL23663021 0.79 MAOB (0.46) ALOX5KMT2ACYP2D6CYP2C9HPGD
SCHEMBL22572492 0.79 LMNA (0.49) HPGD

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-07-14 US disclosed
WO-2020210919-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-22 WO disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALOX5 2462/4885ALDH1A1 1098/4885KMT2A 1703/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALOX5 2462/4885ALDH1A1 1098/4885KMT2A 1703/4885
US-20220218852-A1 NOVEL RADIOLABELLED CXCR4-TARGETING COMPOUNDS FOR DIAGNOSIS AND THERAPY CXCR4, CXCR1, FPR1 ALOX5 4328/4885ALDH1A1 3495/4885KMT2A 3303/4885
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 ALOX5 2753/4885ALDH1A1 2246/4885KMT2A 4193/4885

“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.