SCHEMBL21628640

SCHEMBL21628640

CCC(C)(C)c1ccc(Oc2ccc(C(=O)NC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MMP13 P45452 2/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58
PLK1 P53350 5/20 0.57
MAPT P10636 1/20 0.57
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MMP14 P50281 1/20 0.45
RAF1 P04049 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL12505804 0.90 PLK1 (0.58) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628465 0.88 NPC1 (0.58) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628553 0.86 OPRM1 (0.54) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628487 0.85 SLC6A2 (0.49) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL20482344 0.84 RAB9A (0.58) HPGDTSHRHTTSMN1; SMN2NPC1
SCHEMBL19362917 0.84 NPC1 (0.74) TSHRNPC1RAB9APOLBCYP2C9
SCHEMBL21628526 0.83 HPGD (0.79) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL13184545 0.83 HPGD (1.00) HPGDTSHRHTTSMN1; SMN2MMP13
SCHEMBL21628722 0.83 NPC1 (0.63) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL19340047 0.81 NPC1 (0.58) HPGDSMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HPGD 2313/4885TSHR 3622/4885HTT 304/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HPGD 3694/4885TSHR 719/4885HTT 703/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HPGD 2579/4885TSHR 3747/4885HTT 550/4885

“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.