Sugi Predict

Sugi Predict / Compounds / SCHEMBL17709083

SCHEMBL17709083

SCHEMBL17709083

CON=C1C[C@H](c2cccc(C(=O)OC)c2)Oc2cc(O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.51
▸ PTPN1 P18031 6/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ ESR2 Q92731 2/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ YES1 P07947 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL17709082 1.00 CYP19A1 (0.51) CYP19A1PTPN1MAOAMAOBPSMB5
SCHEMBL17709084 1.00 CYP19A1 (0.51) CYP19A1PTPN1MAOAMAOBPSMB5
SCHEMBL17709186 0.90 MAOB (0.46) CYP19A1MAOBMEN1KMT2A
SCHEMBL17709184 0.90 MAOB (0.46) CYP19A1MAOBMEN1KMT2A
SCHEMBL17709188 0.90 MAOB (0.46) CYP19A1MAOBMEN1KMT2A
SCHEMBL17708812 0.89 MAOB (0.46) CYP19A1MAOBMEN1USP2KMT2A
SCHEMBL17708811 0.89 MAOB (0.46) CYP19A1MAOBMEN1USP2KMT2A
SCHEMBL17708737 0.89 CYP19A1 (0.54) CYP19A1MAOB
SCHEMBL17708740 0.89 CYP19A1 (0.54) CYP19A1MAOB
SCHEMBL17708741 0.89 CYP19A1 (0.54) CYP19A1MAOB

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
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 — — CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 — — EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 — — US disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 — — US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 — — US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 — — 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885PTPN1 1067/4885MAOA 3482/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 CYP19A1 994/4885PTPN1 1067/4885MAOA 3482/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 CYP19A1 994/4885PTPN1 1067/4885MAOA 3482/4885

“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.