SCHEMBL20117949

SCHEMBL20117949

Cc1ccccc1Cc1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ AR P10275 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL27883988 0.76 HSPA5 (0.58) TAAR1DAO
SCHEMBL20117714 0.76 DAO (0.49) TAAR1ARP2RX7ALDH1A1DAO
SCHEMBL20117768 0.76 IDO1 (0.46) TAAR1ARALDH1A1
SCHEMBL79201 0.75 MAOA (0.47) MAOADAO
SCHEMBL2090458 0.75 TAAR1 (0.56) TAAR1ARP2RX7ALDH1A1HPGD
SCHEMBL29477327 0.75 TAAR1 (0.56) TAAR1ARP2RX7ALDH1A1HPGD
SCHEMBL28180473 0.73 ADRA2A (0.58) TAAR1ALDH1A1HPGDLMNA
SCHEMBL27647904 0.73 DPP4 (0.47) MAOA
SCHEMBL11200954 0.73 TAAR1 (0.54) TAAR1ARP2RX7ALDH1A1HPGD
SCHEMBL6284681 0.73 MAOA (0.45) MAOADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 — — US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 — — US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 — — US disclosed
WO-2018081814-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS (US) 2018-05-03 — — WO 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 (3 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-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 TAAR1 2540/4885MAOA 4630/4885AR 3307/4885
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 TAAR1 2540/4885MAOA 4630/4885AR 3307/4885
US-10975030-B2 Grp94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 TAAR1 2540/4885MAOA 4630/4885AR 3307/4885

“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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