SCHEMBL23927601

SCHEMBL23927601

O=C(O)[C@@H]1C[C@](Cc2ccccc2)(C(=O)O)C1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM6 O15303 1/20 0.36
ADAM17 P78536 3/20 0.35
TAAR1 Q96RJ0 3/20 0.35
GRM2 Q14416 3/20 0.35
GRM3 Q14832 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
KDM1A O60341 3/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL23927666 1.00 HSD11B1 (0.36) HSD11B1TSHRHSD17B10GRM6ADAM17
SCHEMBL1841591 0.74 LMNA (0.46) HSD11B1ADAM17MEN1KMT2AMAOA
SCHEMBL9314420 0.74 HSD11B1 (0.41) HSD11B1ADAM17MEN1KMT2AMAOA
SCHEMBL16167219 0.71 AKR1C3 (0.38) HSD11B1MEN1KMT2APOLBGAA
SCHEMBL4580682 0.71 LTB4R (0.36) HSD11B1
SCHEMBL17512535 0.69 DPP4 (0.40) HSD11B1ADAM17MEN1KMT2AMAOA
SCHEMBL17512709 0.69 DPP4 (0.40) HSD11B1ADAM17MEN1KMT2AMAOA
SCHEMBL6060766 0.69 HPGD (0.38) HSD11B1MAOAMAOB
Hydrochloric Acid SCHEMBL28556134 0.68 TACR3 (0.41) HSD11B1MEN1KMT2AMAOAMAOB
SCHEMBL10599609 0.68 ADAM17 (0.41) HSD11B1HSD17B10GRM6ADAM17GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP 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 (1 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 HSD11B1 219/4885TSHR 1944/4885HSD17B10 1945/4885

“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.