SCHEMBL3363882

SCHEMBL3363882

COCC(OC)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.44
▸ KCNN4 O15554 1/20 0.44
▸ HIF1A Q16665 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL2729130 0.83 CES1 (0.46) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL28481278 0.82 PIN1 (0.46) CES1KCNN4KMT2AMAPTALDH1A1
SCHEMBL28753479 0.81 CES1 (0.44) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL6387363 0.81 CYP2C19 (0.53) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL7924474 0.81 CES1 (0.44) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL11775673 0.77 ALDH1A1 (0.57) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL25477181 0.77 ALDH1A1 (0.52) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL18496747 0.76 CHRM3 (0.43) CES1KCNN4HIF1ACYP2C19CHRM2
SCHEMBL6372896 0.76 KCNN4 (0.46) CES1KCNN4HIF1ACYP2C19CYP1A2
SCHEMBL6372894 0.76 KCNN4 (0.46) CES1KCNN4HIF1ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-218475764-U Photovoltaic and photo-thermal integrated garbage bin 光大环境科技(中国)有限公司 2023-02-14 — — CN claimed
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 — — US claimed
CN-117986582-A Bio-based high-toughness self-repairing flexible resin and preparation method thereof 江南大学 2024-05-07 — — CN disclosed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 — — CN disclosed
CN-112105610-B Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2024-01-26 — — CN disclosed
CN-218475764-U Photovoltaic and photo-thermal integrated garbage bin 光大环境科技(中国)有限公司 2023-02-14 — — CN disclosed
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation Jubilant Prodel LLC 2022-12-20 — — US disclosed
CN-112105610-A Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation 朱比连特普罗德尔有限责任公司 2020-12-18 — — CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 — — EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 — — WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 — — US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 — — US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 — — WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 — — EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
US-6451334-B2 PULSE ADMINISTERING OF A C1-C4 SUBSTITUTED AND/OR PHENYL SUBSTITUTED CARBOXYLIC ACID AND SALTS AND A CARRIER OR DILUENT TO STIMULATE CELLS IN TREATING BLOOD DISORDERS, E.G. SICKLE CELL ANEMIA, THALASSEMIA, BLOOD LOSS ETC. Perrine, Susan P. 2002-09-17 — — US disclosed
US-20010027215-A1 Compositions and administration of compositions for the treatment of blood disorders SUSAN PERRINE 2001-10-04 — — US disclosed
US-6231880-B1 ANTIGROWTH AGENTS FOR CELLS BY STIMULATING TO PATIENTS AND EFFECTIVE DIMETHYL SUBSTITUTED CARBOXYLIC ACID Perrine, Susan P. 2001-05-15 — — 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 (4 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP CES1 578/4885KCNN4 4736/4885HIF1A 3944/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CES1 1/4885KCNN4 4386/4885HIF1A 4185/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CES1 565/4885KCNN4 4722/4885HIF1A 4003/4885
US-11529341-B2 Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation CD274, PDCD1, PDCD1LG2 CES1 615/4885KCNN4 4623/4885HIF1A 1533/4885

“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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