Water

Water

SCHEMBL4384420

Cc1ccc([P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[OH-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CHRNA7 P36544 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP2A6 P11509 2/20 0.35
IDO1 P14902 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 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
Iodide SCHEMBL10656368 0.93 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL2494995 0.93 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL7932457 0.93 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Fluoride Ion SCHEMBL943595 0.93 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL9181860 0.90 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
Iodide SCHEMBL9182282 0.90 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL9179274 0.90 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
SCHEMBL7874663 0.90 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL9181852 0.88 ACHE (0.47) ACHETDP1ALDH1A1CA2CA1
SCHEMBL28362175 0.85 ACHE (0.44) ACHETDP1ALDH1A1CA2CA1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed
US-12540218-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2026-02-03 US disclosed
US-20250368777-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2025-12-04 US disclosed
US-12398237-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2025-08-26 US disclosed
US-12384881-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer IDEMITSU KOSAN CO., LTD. (JP) 2025-08-12 US disclosed
EP-4556507-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER, POLYCARBONATE RESIN COMPOSITION AND MOLDED BODY Idemitsu Kosan Co.,Ltd. (JP) 2025-05-21 EP disclosed
EP-4538311-A1 POLYCARBONATE-POLYORGANOSILOXANE COPOLYMER Idemitsu Kosan Co.,Ltd. (JP) 2025-04-16 EP disclosed
US-20240368403-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE IDEMITSU KOSAN CO.,LTD. (JP) 2024-11-07 US disclosed
US-20240294763-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE IDEMITSU KOSAN CO., LTD. (JP) 2024-09-05 US disclosed
US-20240294706-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE IDEMITSU KOSAN CO., LTD. (JP) 2024-09-05 US disclosed
EP-1069146-A1 POLYCARBONATE AND OPTICAL MATERIAL Idemitsu Petrochemical Co., Ltd. (JP) 2001-01-17 EP disclosed
EP-1048684-A1 PROCESS FOR PRODUCING POLYCARBONATE AND OPTICAL-DISK SUBSTRATE Idemitsu Petrochemical Co., Ltd. (JP) 2000-11-02 EP disclosed
EP-1035150-A1 COPOLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed
EP-1033381-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-06 EP disclosed
US-5942594-A AROMATIC POLYCARBONATE CONTAINS IN SMALL AMOUNT, THE UNIT OF PHENYL SALICYLATE STRUCTURE IN MAIN CHAIN, EXHIBITS EXCELLENT FLUIDITY AND MOISTURE RESISTANCE IDEMITSU KOSAN CO., LTD. (JP) 1999-08-24 US disclosed
US-5922826-A TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 1999-07-13 US disclosed
EP-0908484-A1 PROCESSES FOR THE PRODUCTION OF POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1999-04-14 EP disclosed
EP-0890944-A1 DIGITAL VIDEO DISK SUBSTRATE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-01-13 EP disclosed
EP-0852242-A1 POLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0807657-A1 PROCESS FOR PRODUCING POLYCARBONATE IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-11-19 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-12540218-B2 Polycarbonate/polyorganosiloxane copolymer and resin composition including said copolymer COL1A1, MACF1, HAO2 ACHE 4858/4885TDP1 2309/4885ALDH1A1 974/4885

“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.