SCHEMBL4489583

SCHEMBL4489583

Cc1cc(Cl)ccc1OB(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30594439 1.00 TSHR (0.49) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL27668344 0.84 CYP3A4 (0.42) TSHRHTR2AHTR2CHTR2BCYP3A4
SCHEMBL1943056 0.79 TTR (0.52) TSHRTP53LMNAHPGDSLC6A2
SCHEMBL30506429 0.79 TTR (0.52) TSHRTP53LMNAHPGDSLC6A2
SCHEMBL29603559 0.79 TP53 (0.43) TP53CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL457238 0.79 TP53 (0.43) TP53CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL3106476 0.79 TSHR (0.45) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL6659315 0.78 TRPV4 (0.44) TP53ALDH1A1LMNAHPGDMEN1
SCHEMBL30405310 0.78 TRPV4 (0.44) TP53ALDH1A1LMNAHPGDMEN1
SCHEMBL30567191 0.78 HTR3E (0.45) KDM4ETP53ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12289988-B2 Nitrogen-containing compounds, electronic elements and electronic devices SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2025-04-29 US disclosed
US-20220416164-A1 NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-12-29 US disclosed
CN-107925001-A hole transport material E.I.内穆尔杜邦公司 2018-04-17 CN disclosed
CN-102292316-A Glucagon antagonists 2011-12-21 CN disclosed
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 CN disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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-12289988-B2 Nitrogen-containing compounds, electronic elements and electronic devices NPPA, NES, INA TSHR 4313/4885HTR2A 2890/4885HTR2C 3343/4885
US-20220416164-A1 NITROGEN-CONTAINING COMPOUNDS, ELECTRONIC ELEMENTS AND ELECTRONIC DEVICES NPPA, NES, INA TSHR 4313/4885HTR2A 2890/4885HTR2C 3343/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 TSHR 115/4885HTR2A 161/4885HTR2C 223/4885

“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.